A0A060Y8Z4_ONCMY Loading...

Nucleoside diphosphate kinase 5

Functions as part of axonemal radial spoke complexes, which play an important part in the motility of sperm and cilia. In vitro, does not display nucleoside diphosphate kinase (NDPK) activity. Exhibits a 3'-5'-DNA exonuclease activity that removes single nucleotides from the 3' terminus of single-stranded DNA substrates and digests overhanging mismatched 3' termini from double-stranded DNA substrates, possibly participating in DNA nucleolytic processing. Confers protection from cell death mediated by BAX and alters the cellular levels of several antioxidant enzymes, including GPX5. Might be involved in spermiogenesis by enhancing the ability of late-stage spermatids to eliminate reactive oxygen species.

AlphaFold DB , UniProt , Accession A0A060Y8Z4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 231 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	34.6	Very low	36.1	Very low	242 Å²	242	167.5 Å²	167.5	100%	1.192	86%	0.855	S	S	*	*				0	120.6	0	-81.6	176.6	-152.8	0	0	108.9
2	N	32.7	Very low	36.4	Very low	163 Å²	163	161 Å²	161	87%	0.872	85%	0.846	S	S	*	*			trans	44.3	113.9	154.3	-70	-13	0	0	0	122.8
3	L	33.2	Very low	36.2	Very low	140 Å²	140	160 Å²	160	73%	0.733	84%	0.841	S	S	*	*			trans	-54	159.6	142.1	-90.2	153.8	0	0	0	111.7	L5	L3-L5 HydrophobicContact CD2-CD1 4.19Å; L3-L5 HydrophobicContact CD2-CG 4.48Å
4	P	43.2	Very low	36.4	Very low	124 Å²	124	157.2 Å²	157.2	81%	0.805	83%	0.834	S	S	*	*				-139	145.2	90.8	30.6	-12.7	0	0	0	115.7
5	L	39.4	Very low	36.1	Very low	148 Å²	148	156.3 Å²	156.3	78%	0.775	83%	0.825	S	S	*	*			trans	-59.5	135.4	163.5	-74.2	105.2	0	0	0	111.8	L3	L3-L5 HydrophobicContact CD2-CD1 4.19Å; L3-L5 HydrophobicContact CD2-CG 4.48Å
6	K	38.8	Very low	36.1	Very low	209 Å²	209	155.6 Å²	155.6	91%	0.909	82%	0.822	S	S	*	*			trans	-141	122	144.8	-76.6	-166.5	178.1	178.4	0	111
7	R	38.5	Very low	35.8	Very low	216 Å²	216	158.4 Å²	158.4	82%	0.815	82%	0.821	S	S	*	*			trans	-46.5	138	165.9	-73.3	170.7	166.9	-176.3	-5.2	111.4
8	L	35.6	Very low	35.9	Very low	165 Å²	165	159.8 Å²	159.8	86%	0.864	82%	0.823	S	S	*	*			trans	-143.4	101.3	140.9	-86.3	170.8	0	0	0	108.1
9	F	33.8	Very low	35.9	Very low	187 Å²	187	157.9 Å²	157.9	82%	0.82	82%	0.819	S	S	*	*			trans	-71.6	128.1	157.2	-78.3	-94.3	0	0	0	106.8
10	T	34.3	Very low	36	Very low	134 Å²	134	156.2 Å²	156.2	82%	0.822	82%	0.818	S	S	*	*			trans	-129.2	118	167.9	7.5	0	0	0	0	108
11	S	33.3	Very low	36.4	Very low	114 Å²	114	158.8 Å²	158.8	80%	0.797	82%	0.823	S	S	*	*			trans	-45.7	125.8	-177.8	-69.6	0	0	0	0	113.7
12	A	39	Very low	36.9	Very low	90 Å²	90	153.3 Å²	153.3	74%	0.744	80%	0.799	S	S	*	*			trans	-75.3	118.4	146.5	0	0	0	0	0	107	V14	A12-V14 PolarHBondContact O-N 3.01Å
13	N	34.2	Very low	37.4	Very low	148 Å²	148	153.6 Å²	153.6	79%	0.791	80%	0.795	S	S	*	*			trans	-58.3	105.5	169.1	-87	-13.3	0	0	0	108.8	M15	N13-M15 PolarHBondContact O-N 3.34Å
14	V	38.7	Very low	37.8	Very low	121 Å²	121	154.6 Å²	154.6	73%	0.733	80%	0.798	S	S	*	*			trans	-76.2	107.9	159.4	180	0	0	0	0	105.1	A12 D16	A12-V14 PolarHBondContact O-N 3.01Å; V14-D16 PolarHBondContact O-N 2.94Å; V14-D16 VanDerWaalsContact O-N 3.08Å
15	M	32.7	Very low	37.9	Very low	144 Å²	144	154.7 Å²	154.7	71%	0.709	79%	0.787	S	S	*	*			trans	-66	104	168.6	-70.1	-83.2	-92.1	0	0	106.8	N13 Y17	N13-M15 PolarHBondContact O-N 3.34Å; M15-Y17 VanDerWaalsContact C-N 3.34Å; M15-Y17 HydrophobicContact CB-CD2 4.46Å; M15-Y17 HydrophobicContact CB-CE2 4.34Å; M15-Y17 PolarHBondContact O-N 3.08Å
16	D	35.4	Very low	38	Very low	144 Å²	144	152.4 Å²	152.4	77%	0.77	78%	0.783	S	S	*	*			trans	-62.7	97.7	168.6	-74.3	-36.2	0	0	0	108.1	V14 E18	V14-D16 PolarHBondContact O-N 2.94Å; V14-D16 VanDerWaalsContact O-N 3.08Å; D16-E18 PolarHBondContact O-N 3.03Å
17	Y	31.3	Very low	38.1	Very low	204 Å²	204	148.1 Å²	148.1	80%	0.8	78%	0.777	S	S	*	*			trans	-72.2	85	163.3	-82.8	-89.6	0	0	0	107.7	M15 T19	M15-Y17 VanDerWaalsContact C-N 3.34Å; M15-Y17 HydrophobicContact CB-CD2 4.46Å; M15-Y17 HydrophobicContact CB-CE2 4.34Å; M15-Y17 PolarHBondContact O-N 3.08Å; Y17-T19 PolarHBondContact O-N 2.97Å
18	E	38.2	Very low	38.7	Very low	183 Å²	183	145.6 Å²	145.6	86%	0.855	77%	0.767	S	S	*	*			trans	-59.1	108.8	159.7	-81.1	-172.6	153.9	0	0	108.1	D16 P20	D16-E18 PolarHBondContact O-N 3.03Å; E18-P20 WeakPolarHBondContact O-CD 3.48Å
19	T	35.1	Very low	39.6	Very low	124 Å²	124	144.9 Å²	144.9	76%	0.761	76%	0.763	S	S	*	*			trans	-69.4	122.4	172.4	10.9	0	0	0	0	107.6	Y17 K21	Y17-T19 PolarHBondContact O-N 2.97Å; T19-K21 PolarHBondContact O-N 2.86Å
20	P	37.2	Very low	41	Very low	123 Å²	123	141.6 Å²	141.6	80%	0.799	75%	0.746	S	S	*	*			trans	-66.9	112.8	179.7	17.6	-18.4	0	0	0	109	E18 N22	E18-P20 WeakPolarHBondContact O-CD 3.48Å; P20-N22 PolarHBondContact O-N 2.94Å
21	K	45.3	Very low	43.2	Very low	212 Å²	212	138 Å²	138	92%	0.922	72%	0.724	S	S	*	*			trans	-70.5	75.5	167.4	-73.9	-177.4	-178.6	174	0	109	T19	T19-K21 PolarHBondContact O-N 2.86Å
22	N	45.3	Very low	45.9	Very low	127 Å²	127	133.4 Å²	133.4	68%	0.679	69%	0.69	S	S	*	*			trans	-138.1	66	161.8	-144.8	12	0	0	0	109.7	P20 M24	P20-N22 PolarHBondContact O-N 2.94Å; N22-M24 PolarHBondContact O-N 3.01Å
23	Q	44.1	Very low	48.5	Very low	168 Å²	168	132.4 Å²	132.4	79%	0.785	67%	0.667	S	S	*	*			trans	-69.2	86.2	156.5	-89	-177.9	-9.3	0	0	107.1	H25	Q23-H25 PolarHBondContact O-N 2.81Å
24	M	41.3	Very low	51.6	Low	162 Å²	162	125.3 Å²	125.3	80%	0.798	63%	0.629	S	S	*	*			trans	-59	91	160.3	-70.2	-109.3	-99	0	0	106.8	N22 S26	N22-M24 PolarHBondContact O-N 3.01Å; M24-S26 PolarHBondContact O-N 3.34Å; M24-S26 VanDerWaalsContact O-N 3.12Å
25	H	43.7	Very low	54.4	Low	125 Å²	125	119.6 Å²	119.6	58%	0.579	59%	0.594	S	S	*	*			trans	-57.1	117.8	166.5	-92.2	64.1	0	0	0	106.1	Q23	Q23-H25 PolarHBondContact O-N 2.81Å
26	S	42.5	Very low	57.5	Low	100 Å²	100	112.7 Å²	112.7	70%	0.699	56%	0.56	S	S	*	*			trans	-43.7	130	165.8	-55.4	0	0	0	0	107.7	M24 R28	M24-S26 PolarHBondContact O-N 3.34Å; M24-S26 VanDerWaalsContact O-N 3.12Å; S26-R28 PolarHBondContact O-N 3.12Å
27	P	41.6	Very low	60.5	Low	119 Å²	119	105.9 Å²	105.9	77%	0.773	52%	0.524	S	S	*	.			trans	-58.3	108.1	-179.6	22.3	-30.5	0	0	0	106.7	I29	P27-I29 PolarHBondContact O-N 3.5Å
28	R	50.5	Low	63.8	Low	163 Å²	163	96.2 Å²	96.2	62%	0.615	49%	0.486	S	S	*	.			trans	-64.4	108.5	172.7	-74.9	-170.2	179.8	-175.1	5.2	104.9	S26 Y30 M172	S26-R28 PolarHBondContact O-N 3.12Å; R28-Y30 VanDerWaalsContact C-N 3.3Å; R28-Y30 PolarHBondContact O-N 3.04Å; R28-M172 VanDerWaalsContact CZ-CE 3.48Å; R28-M172 PolarHBondContact NH1-SD 2.9Å; R28-M172 PolarHBondContact NH2-SD 2.62Å; R28-M172 VanDerWaalsContact NH2-SD 3.39Å
29	I	53.5	Low	66.6	Low	151 Å²	151	88 Å²	88	77%	0.774	45%	0.447	S	S	*	.			trans	-67.9	97.7	173.4	-57.6	177.6	0	0	0	105.5	P27 V31	P27-I29 PolarHBondContact O-N 3.5Å; I29-V31 HydrophobicContact CG2-CG2 4.01Å; I29-V31 PolarHBondContact O-N 3.13Å
30	Y	64.3	Low	69.7	Low	118 Å²	118	83.1 Å²	83.1	46%	0.463	42%	0.418	S	S	.	.			trans	-73.3	111.4	171	-179.8	-91.8	0	0	0	107.3	R28 E32 P169	R28-Y30 VanDerWaalsContact C-N 3.3Å; R28-Y30 PolarHBondContact O-N 3.04Å; Y30-E32 HydrophobicContact CE1-CB 4.5Å; Y30-P169 HydrophobicContact CE2-CB 4.32Å; Y30-P169 HydrophobicContact CE2-CG 4.05Å
31	V	80.1	Confident	72.6	Confident	58 Å²	58	79.2 Å²	79.2	35%	0.352	39%	0.39	S	S	.	.			trans	-96.6	119.8	173.4	-176.2	0	0	0	0	107.2	I29 A104 R105	I29-V31 HydrophobicContact CG2-CG2 4.01Å; I29-V31 PolarHBondContact O-N 3.13Å; V31-A104 HydrophobicContact CG1-CB 3.98Å; V31-R105 VanDerWaalsContact CG1-C 3.48Å
32	E	89.9	Confident	75.1	Confident	18 Å²	18	69.1 Å²	69.1	8%	0.084	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	147.4	178.4	-177.4	-179.6	-161.7	0	0	110.6	Y30 A104 R105 Q107 A108 I109 F151	Y30-E32 HydrophobicContact CE1-CB 4.5Å; E32-A104 WeakPolarHBondContact O-CA 3.39Å; E32-R105 PolarHBondContact N-O 3.02Å; E32-R105 PolarHBondContact O-N 2.84Å; E32-R105 VanDerWaalsContact O-N 3.09Å; E32-Q107 WeakPolarHBondContact OE2-CA 3.27Å; E32-A108 HydrophobicContact CB-CB 4.09Å; E32-A108 HydrophobicContact CG-CB 4Å; E32-A108 WeakPolarHBondContact O-CB 3.43Å; E32-A108 PolarHBondContact OE2-N 2.69Å; E32-I109 HydrophobicContact CG-CG1 4.34Å; E32-I109 WeakPolarHBondContact OE1-CB 3.21Å; E32-I109 WeakPolarHBondContact OE1-CD1 3.36Å; E32-I109 WeakPolarHBondContact OE1-CG1 3.38Å; E32-F151 HydrophobicContact CB-CE1 4.2Å; E32-F151 VanDerWaalsContact CD-CZ 3.42Å; E32-F151 HydrophobicContact CG-CD1 4.06Å; E32-F151 HydrophobicContact CG-CE1 3.42Å; E32-F151 VanDerWaalsContact CG-CE1 3.42Å; E32-F151 HydrophobicContact CG-CZ 4.07Å; E32-F151 WeakPolarHBondContact OE1-CE1 3.23Å; E32-F151 WeakPolarHBondContact OE1-CZ 3.44Å
33	R	94.3	Very high	77.6	Confident	68 Å²	68	64.2 Å²	64.2	26%	0.257	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	149	-178.6	-56.5	174.2	-171.9	144.4	0.5	110.5	L61 L103 A104 A154 I158 I167	R33-L61 HydrophobicContact CG-CD1 4.12Å; R33-L103 CarbonylContact C-O 3.56Å; R33-L103 WeakPolarHBondContact CA-O 3.19Å; R33-A104 HydrophobicContact CG-CB 4.38Å; R33-A154 WeakPolarHBondContact O-CB 3.33Å; R33-I158 HydrophobicContact CB-CD1 3.95Å; R33-I167 VanDerWaalsContact NH1-C 3.28Å; R33-I167 PolarHBondContact NH1-O 2.96Å
34	T	97.9	Very high	80.1	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	151.3	175.9	-170.3	0	0	0	0	110.4	F58 L103 A108 W112	T34-F58 HydrophobicContact CG2-CE1 4.35Å; T34-L103 HydrophobicContact CG2-CB 3.95Å; T34-L103 HydrophobicContact CG2-CD1 4.41Å; T34-L103 PolarHBondContact N-O 3.32Å; T34-L103 PolarHBondContact O-N 2.88Å; T34-A108 HydrophobicContact CG2-CB 4.14Å; T34-W112 HydrophobicContact CG2-CB 3.94Å; T34-W112 HydrophobicContact CG2-CG 4.21Å
35	L	98.4	Very high	82.8	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	131	167.6	-175.7	72.5	0	0	0	109	L37 F76 A100 G147 S148 E157 I158 M161 F162	L35-L37 HydrophobicContact CD1-CD2 4.12Å; L35-L37 HydrophobicContact CD2-CD1 4.33Å; L35-L37 HydrophobicContact CD2-CD2 3.78Å; L35-L37 HydrophobicContact CD2-CG 3.93Å; L35-L37 HydrophobicContact CG-CD2 4.02Å; L35-L37 HydrophobicContact CG-CG 4.27Å; L35-F76 HydrophobicContact CD2-CE2 3.88Å; L35-F76 HydrophobicContact CD2-CZ 3.72Å; L35-A100 HydrophobicContact CD1-CB 4.4Å; L35-G147 WeakPolarHBondContact O-CA 3.36Å; L35-S148 WeakPolarHBondContact CB-OG 3.46Å; L35-S148 PolarHBondContact N-OG 3.47Å; L35-S148 PolarHBondContact O-N 3.22Å; L35-E157 HydrophobicContact CB-CB 4.1Å; L35-E157 HydrophobicContact CD2-CB 3.62Å; L35-E157 HydrophobicContact CD2-CG 4.46Å; L35-E157 HydrophobicContact CG-CB 4.47Å; L35-I158 HydrophobicContact CB-CG1 3.99Å; L35-I158 HydrophobicContact CD1-CG1 4.4Å; L35-M161 HydrophobicContact CD1-CB 4.18Å; L35-M161 HydrophobicContact CD1-CG 3.97Å; L35-M161 HydrophobicContact CD2-CG 3.87Å; L35-F162 HydrophobicContact CD1-CE2 4.03Å
36	A	98.7	Very high	85.4	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.3	161.4	0	0	0	0	0	109.4	L101 L103 W112 H146	A36-L101 HydrophobicContact CB-CB 4.24Å; A36-L101 PolarHBondContact N-O 3.14Å; A36-L101 PolarHBondContact O-N 2.86Å; A36-L103 HydrophobicContact CB-CD1 3.54Å; A36-L103 HydrophobicContact CB-CG 3.98Å; A36-W112 HydrophobicContact CB-CD2 4.32Å; A36-W112 VanDerWaalsContact CB-CE2 3.49Å; A36-W112 HydrophobicContact CB-CH2 4.21Å; A36-W112 HydrophobicContact CB-CZ2 3.43Å; A36-W112 VanDerWaalsContact CB-CZ2 3.43Å; A36-H146 WeakPolarHBondContact CA-O 3.47Å
37	L	98.6	Very high	88	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	137.7	166.5	-52.2	176.2	0	0	0	109.7	L35 F76 M93 I98 I99 A100 V145 H146 M161	L35-L37 HydrophobicContact CD1-CD2 4.12Å; L35-L37 HydrophobicContact CD2-CD1 4.33Å; L35-L37 HydrophobicContact CD2-CD2 3.78Å; L35-L37 HydrophobicContact CD2-CG 3.93Å; L35-L37 HydrophobicContact CG-CD2 4.02Å; L35-L37 HydrophobicContact CG-CG 4.27Å; L37-F76 HydrophobicContact CD1-CE1 3.86Å; L37-F76 HydrophobicContact CD1-CZ 3.86Å; L37-M93 HydrophobicContact CD1-CE 4.27Å; L37-I98 HydrophobicContact CD1-CD1 4.48Å; L37-I98 HydrophobicContact CD2-CD1 4.41Å; L37-I99 CarbonylContact C-O 3.56Å; L37-I99 WeakPolarHBondContact CA-O 3.34Å; L37-A100 HydrophobicContact CD2-CB 3.53Å; L37-V145 CarbonylContact O-C 3.48Å; L37-V145 WeakPolarHBondContact O-CA 3.28Å; L37-H146 HydrophobicContact CB-CB 3.88Å; L37-H146 HydrophobicContact CD1-CB 4.07Å; L37-H146 HydrophobicContact CG-CB 4.11Å; L37-H146 PolarHBondContact N-O 2.74Å; L37-H146 VanDerWaalsContact N-O 3.1Å; L37-H146 PolarHBondContact O-N 3.18Å; L37-M161 HydrophobicContact CD1-CE 3.91Å; L37-M161 HydrophobicContact CD2-CE 3.98Å; L37-M161 HydrophobicContact CD2-CG 4.34Å; L37-M161 HydrophobicContact CD2-SD 4.23Å
38	I	98.8	Very high	90.8	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	116.5	161.2	-52.4	176.4	0	0	0	106.4	A42 A46 I49 E50 I98 I99 L101	I38-A42 HydrophobicContact CG2-CB 3.96Å; I38-A42 WeakPolarHBondContact CG2-O 3.33Å; I38-A46 HydrophobicContact CD1-CB 4.01Å; I38-I49 HydrophobicContact CD1-CB 4.13Å; I38-I49 HydrophobicContact CD1-CG2 3.87Å; I38-I49 HydrophobicContact CG1-CG2 4.12Å; I38-I49 HydrophobicContact CG2-CD1 4.1Å; I38-E50 HydrophobicContact CD1-CG 4.33Å; I38-I98 WeakPolarHBondContact O-CA 3.47Å; I38-I98 WeakPolarHBondContact O-CB 3.31Å; I38-I99 HydrophobicContact CB-CB 4.2Å; I38-I99 HydrophobicContact CD1-CB 4.42Å; I38-I99 HydrophobicContact CD1-CG2 4.47Å; I38-I99 PolarHBondContact N-O 3.48Å; I38-I99 PolarHBondContact O-N 2.99Å; I38-L101 HydrophobicContact CD1-CD1 4.41Å
39	K	98.6	Very high	93	Very high	10 Å²	10	48.5 Å²	48.5	4%	0.043	23%	0.231	C	C	.	.			trans	-78.1	167.2	-173.2	-66.8	-172.5	173.7	-172.1	0	111.6	D41 A42 I43 F92 M93 N143 A144	K39-D41 WeakPolarHBondContact CB-OD1 3.48Å; K39-D41 PolarHBondContact O-N 3.36Å; K39-D41 VanDerWaalsContact O-N 3.14Å; K39-A42 PolarHBondContact O-N 3.13Å; K39-I43 PolarHBondContact O-N 2.95Å; K39-F92 HydrophobicContact CB-CE1 4.44Å; K39-F92 HydrophobicContact CB-CZ 4.46Å; K39-F92 HydrophobicContact CD-CE1 4.06Å; K39-M93 HydrophobicContact CB-SD 4.37Å; K39-M93 HydrophobicContact CD-SD 3.85Å; K39-M93 HydrophobicContact CG-CE 4.3Å; K39-M93 HydrophobicContact CG-SD 3.81Å; K39-N143 WeakPolarHBondContact CE-OD1 3.13Å; K39-N143 PolarHBondContact NZ-OD1 3.19Å; K39-A144 WeakPolarHBondContact CB-O 3.46Å; K39-A144 PolarHBondContact N-O 3.05Å
40	P	98.6	Very high	95.2	Very high	23 Å²	23	42.4 Å²	42.4	15%	0.149	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-58.6	-31	-174.5	-26.4	37.1	0	0	0	114.2	A42 F92 P97 I98	P40-A42 VanDerWaalsContact C-N 3.29Å; P40-A42 PolarHBondContact O-N 3.39Å; P40-F92 HydrophobicContact CB-CE2 4.35Å; P40-P97 WeakPolarHBondContact CA-O 3.39Å; P40-I98 HydrophobicContact CG-CG2 3.81Å
41	D	98.3	Very high	96.8	Very high	41 Å²	41	41 Å²	41	22%	0.219	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-70.3	-20.3	179.1	59.7	-39.7	0	0	0	114.1	K39 F92 R142 N143 A144	K39-D41 WeakPolarHBondContact CB-OD1 3.48Å; K39-D41 PolarHBondContact O-N 3.36Å; K39-D41 VanDerWaalsContact O-N 3.14Å; D41-F92 HydrophobicContact CB-CE2 4.32Å; D41-F92 HydrophobicContact CB-CZ 3.97Å; D41-F92 WeakPolarHBondContact OD1-CZ 3.29Å; D41-R142 HydrophobicContact CB-CB 4.29Å; D41-R142 VanDerWaalsContact OD2-CA 3.22Å; D41-R142 WeakPolarHBondContact OD2-CA 3.36Å; D41-R142 WeakPolarHBondContact OD2-CB 3.32Å; D41-R142 VanDerWaalsContact OD2-O 3.14Å; D41-N143 PolarHBondContact OD2-N 2.79Å; D41-A144 PolarHBondContact OD2-N 3.34Å
42	A	98.3	Very high	97.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-115.9	11.6	-176.9	0	0	0	0	0	113.8	I38 K39 P40 H44 Q45 A46 I49 A144	I38-A42 HydrophobicContact CG2-CB 3.96Å; I38-A42 WeakPolarHBondContact CG2-O 3.33Å; K39-A42 PolarHBondContact O-N 3.13Å; P40-A42 VanDerWaalsContact C-N 3.29Å; P40-A42 PolarHBondContact O-N 3.39Å; A42-H44 PolarHBondContact O-N 3.2Å; A42-Q45 PolarHBondContact O-N 3.34Å; A42-A46 PolarHBondContact O-N 3.5Å; A42-I49 HydrophobicContact CB-CD1 4.02Å; A42-A144 HydrophobicContact CB-CB 3.5Å; A42-A144 VanDerWaalsContact CB-CB 3.5Å
43	I	97.3	Very high	98.1	Very high	24 Å²	24	38.9 Å²	38.9	12%	0.123	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-58.7	-34.7	-178.7	-90.1	-65	0	0	0	112.7	K39 Q45 A46 P97 I99	K39-I43 PolarHBondContact O-N 2.95Å; I43-Q45 PolarHBondContact O-N 3.45Å; I43-A46 VanDerWaalsContact O-CB 3.26Å; I43-A46 WeakPolarHBondContact O-CB 3.12Å; I43-A46 PolarHBondContact O-N 3.04Å; I43-P97 HydrophobicContact CG1-CG 4.43Å; I43-P97 WeakPolarHBondContact CG1-O 3.19Å; I43-I99 HydrophobicContact CD1-CB 4.48Å; I43-I99 HydrophobicContact CD1-CD1 3.69Å; I43-I99 HydrophobicContact CD1-CG1 3.66Å
44	H	97.3	Very high	98.2	Very high	172 Å²	172	39.8 Å²	39.8	80%	0.796	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-72.5	-16.9	179.8	-62.6	-64.4	0	0	0	112.9	A42	A42-H44 PolarHBondContact O-N 3.2Å
45	Q	98.3	Very high	98.2	Very high	66 Å²	66	48.8 Å²	48.8	31%	0.308	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-102	10.9	177.4	-64.4	72.7	35.1	0	0	111.8	A42 I43 E47 E48 I49 Y136	A42-Q45 PolarHBondContact O-N 3.34Å; I43-Q45 PolarHBondContact O-N 3.45Å; Q45-E47 PolarHBondContact O-N 3.32Å; Q45-E48 PolarHBondContact O-N 3.44Å; Q45-I49 HydrophobicContact CB-CD1 4.13Å; Q45-I49 HydrophobicContact CB-CG1 4.45Å; Q45-I49 WeakPolarHBondContact O-CG1 3.44Å; Q45-I49 PolarHBondContact O-N 3.4Å; Q45-Y136 HydrophobicContact CB-CD1 4.06Å; Q45-Y136 HydrophobicContact CB-CE1 4.13Å; Q45-Y136 HydrophobicContact CG-CD1 3.85Å; Q45-Y136 HydrophobicContact CG-CE1 4.04Å
46	A	97.9	Very high	98.1	Very high	9 Å²	9	50.4 Å²	50.4	7%	0.074	24%	0.242	C	C	.	.	H	α-helix	trans	-59.4	-42.7	-171.4	0	0	0	0	0	113.6	I38 A42 I43 E48 I49 E50 I99	I38-A46 HydrophobicContact CD1-CB 4.01Å; A42-A46 PolarHBondContact O-N 3.5Å; I43-A46 VanDerWaalsContact O-CB 3.26Å; I43-A46 WeakPolarHBondContact O-CB 3.12Å; I43-A46 PolarHBondContact O-N 3.04Å; A46-E48 PolarHBondContact O-N 3.27Å; A46-I49 PolarHBondContact O-N 3.4Å; A46-E50 WeakPolarHBondContact O-CB 3.29Å; A46-E50 VanDerWaalsContact O-CG 3.29Å; A46-E50 WeakPolarHBondContact O-CG 3.32Å; A46-E50 PolarHBondContact O-N 2.97Å; A46-I99 HydrophobicContact CB-CD1 3.45Å; A46-I99 VanDerWaalsContact CB-CD1 3.45Å
47	E	98.1	Very high	97.8	Very high	160 Å²	160	52.8 Å²	52.8	75%	0.748	27%	0.266	S	S	*	.	H	α-helix	trans	-61.8	-44.6	178.4	-66.2	-179.1	178.6	0	0	111.4	Q45 I49 E50 D51	Q45-E47 PolarHBondContact O-N 3.32Å; E47-I49 PolarHBondContact O-N 3.34Å; E47-E50 PolarHBondContact O-N 3.1Å; E47-D51 PolarHBondContact O-N 3.35Å
48	E	98.4	Very high	97.7	Very high	99 Å²	99	53 Å²	53	46%	0.463	27%	0.268	S	S	.	.	H	α-helix	trans	-64.8	-41.8	178	-169.1	-171.9	166.5	0	0	112.1	Q45 A46 D51 I52 Y136	Q45-E48 PolarHBondContact O-N 3.44Å; A46-E48 PolarHBondContact O-N 3.27Å; E48-D51 PolarHBondContact O-N 2.89Å; E48-I52 WeakPolarHBondContact O-CG1 3.48Å; E48-I52 PolarHBondContact O-N 3.3Å; E48-Y136 PolarHBondContact OE1-OH 2.84Å
49	I	98.6	Very high	97.5	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64.5	-41.7	176.6	-68	168	0	0	0	110.6	I38 A42 Q45 A46 E47 I52 I53 L132 Y136 V145	I38-I49 HydrophobicContact CD1-CB 4.13Å; I38-I49 HydrophobicContact CD1-CG2 3.87Å; I38-I49 HydrophobicContact CG1-CG2 4.12Å; I38-I49 HydrophobicContact CG2-CD1 4.1Å; A42-I49 HydrophobicContact CB-CD1 4.02Å; Q45-I49 HydrophobicContact CB-CD1 4.13Å; Q45-I49 HydrophobicContact CB-CG1 4.45Å; Q45-I49 WeakPolarHBondContact O-CG1 3.44Å; Q45-I49 PolarHBondContact O-N 3.4Å; A46-I49 PolarHBondContact O-N 3.4Å; E47-I49 PolarHBondContact O-N 3.34Å; I49-I52 PolarHBondContact O-N 3.46Å; I49-I53 HydrophobicContact CG2-CD1 4.06Å; I49-I53 WeakPolarHBondContact O-CG1 3.43Å; I49-I53 PolarHBondContact O-N 2.9Å; I49-L132 HydrophobicContact CG2-CD1 4.11Å; I49-Y136 HydrophobicContact CD1-CD2 4.16Å; I49-Y136 HydrophobicContact CD1-CE2 4.48Å; I49-Y136 HydrophobicContact CD1-CG 4.42Å; I49-Y136 HydrophobicContact CG1-CD2 4.05Å; I49-Y136 HydrophobicContact CG1-CE2 3.88Å; I49-V145 HydrophobicContact CD1-CG1 4.44Å; I49-V145 HydrophobicContact CG2-CG1 4.44Å
50	E	98.4	Very high	97.3	Very high	24 Å²	24	58.7 Å²	58.7	11%	0.112	30%	0.301	C	S	.	.	H	α-helix	trans	-62.7	-41.3	175.4	-75.5	177	-149.4	0	0	111.9	I38 A46 E47 I52 I53 L54 K63 L101	I38-E50 HydrophobicContact CD1-CG 4.33Å; A46-E50 WeakPolarHBondContact O-CB 3.29Å; A46-E50 VanDerWaalsContact O-CG 3.29Å; A46-E50 WeakPolarHBondContact O-CG 3.32Å; A46-E50 PolarHBondContact O-N 2.97Å; E47-E50 PolarHBondContact O-N 3.1Å; E50-I52 VanDerWaalsContact C-N 3.3Å; E50-I52 PolarHBondContact O-N 2.9Å; E50-I53 WeakPolarHBondContact O-CB 3.44Å; E50-I53 PolarHBondContact O-N 3.34Å; E50-I53 VanDerWaalsContact O-N 3.15Å; E50-L54 WeakPolarHBondContact O-CG 3.35Å; E50-L54 PolarHBondContact O-N 3.39Å; E50-K63 WeakPolarHBondContact OE1-CE 3.38Å; E50-K63 IonicContact OE1-NZ 3.53Å; E50-K63 PolarHBondContact OE1-NZ 2.99Å; E50-K63 IonicContact OE2-NZ 2.76Å; E50-K63 PolarHBondContact OE2-NZ 3.45Å; E50-L101 HydrophobicContact CG-CD1 4.1Å
51	D	98.3	Very high	97	Very high	89 Å²	89	61.3 Å²	61.3	48%	0.476	31%	0.313	S	S	.	.	H	α-helix	trans	-62.5	-36.2	173.9	-79.8	-11.8	0	0	0	112.4	E47 E48 R55	E47-D51 PolarHBondContact O-N 3.35Å; E48-D51 PolarHBondContact O-N 2.89Å; D51-R55 VanDerWaalsContact O-CB 3.31Å; D51-R55 WeakPolarHBondContact O-CB 3.32Å; D51-R55 VanDerWaalsContact O-CG 3.27Å; D51-R55 WeakPolarHBondContact O-CG 3.38Å; D51-R55 PolarHBondContact O-N 3.22Å; D51-R55 PolarHBondContact O-NE 3.15Å; D51-R55 VanDerWaalsContact O-NE 3.14Å
52	I	98.4	Very high	96.9	Very high	30 Å²	30	62 Å²	62	15%	0.154	32%	0.315	C	S	.	.	H	α-helix	trans	-66.8	-42.6	173.7	-67	164.5	0	0	0	110.5	E48 I49 E50 R55 S56 I115 L132 Y136	E48-I52 WeakPolarHBondContact O-CG1 3.48Å; E48-I52 PolarHBondContact O-N 3.3Å; I49-I52 PolarHBondContact O-N 3.46Å; E50-I52 VanDerWaalsContact C-N 3.3Å; E50-I52 PolarHBondContact O-N 2.9Å; I52-R55 PolarHBondContact O-N 3.29Å; I52-S56 VanDerWaalsContact O-CB 3.27Å; I52-S56 WeakPolarHBondContact O-CB 3.5Å; I52-S56 PolarHBondContact O-N 3.15Å; I52-S56 PolarHBondContact O-OG 2.97Å; I52-I115 HydrophobicContact CG2-CG2 4.32Å; I52-L132 HydrophobicContact CB-CD2 4.37Å; I52-L132 HydrophobicContact CD1-CD2 3.67Å; I52-L132 HydrophobicContact CG2-CD2 4.01Å; I52-Y136 HydrophobicContact CD1-CE2 4.26Å; I52-Y136 WeakPolarHBondContact CD1-OH 3.23Å
53	I	98.3	Very high	96.8	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-58.3	-49.5	176.6	-71.9	165.7	0	0	0	110.4	I49 E50 S56 F58 I60 L101 L103 W112	I49-I53 HydrophobicContact CG2-CD1 4.06Å; I49-I53 WeakPolarHBondContact O-CG1 3.43Å; I49-I53 PolarHBondContact O-N 2.9Å; E50-I53 WeakPolarHBondContact O-CB 3.44Å; E50-I53 PolarHBondContact O-N 3.34Å; E50-I53 VanDerWaalsContact O-N 3.15Å; I53-S56 WeakPolarHBondContact O-CB 3.41Å; I53-S56 PolarHBondContact O-N 2.82Å; I53-F58 HydrophobicContact CG2-CB 3.66Å; I53-F58 HydrophobicContact CG2-CD2 4.42Å; I53-F58 HydrophobicContact CG2-CG 4.23Å; I53-F58 PolarHBondContact O-N 3.43Å; I53-I60 HydrophobicContact CG2-CG1 4.27Å; I53-L101 HydrophobicContact CD1-CD1 3.61Å; I53-L103 HydrophobicContact CD1-CD1 4.42Å; I53-L103 HydrophobicContact CG2-CD1 3.95Å; I53-L103 HydrophobicContact CG2-CD2 3.75Å; I53-W112 HydrophobicContact CD1-CH2 3.84Å; I53-W112 HydrophobicContact CD1-CZ3 4.02Å; I53-W112 HydrophobicContact CG1-CE3 4.5Å; I53-W112 HydrophobicContact CG1-CH2 3.91Å; I53-W112 HydrophobicContact CG1-CZ3 3.57Å
54	L	97.3	Very high	96.7	Very high	88 Å²	88	71.6 Å²	71.6	46%	0.461	35%	0.353	S	S	.	.	H	α-helix	trans	-64.1	-47.5	-179.7	-68.5	173.7	0	0	0	111.8	E50 S56 G57 I60	E50-L54 WeakPolarHBondContact O-CG 3.35Å; E50-L54 PolarHBondContact O-N 3.39Å; L54-S56 PolarHBondContact O-N 3.37Å; L54-G57 PolarHBondContact O-N 2.87Å; L54-I60 HydrophobicContact CD2-CD1 4.02Å; L54-I60 HydrophobicContact CD2-CG1 4.09Å; L54-I60 HydrophobicContact CG-CD1 4.24Å
55	R	97.4	Very high	96.7	Very high	188 Å²	188	69.9 Å²	69.9	71%	0.709	34%	0.343	S	S	*	.	H	α-helix	trans	-63.5	-25.2	176.4	-74.6	-177.7	-70.8	-178	-3.6	113.1	D51 I52 G57	D51-R55 VanDerWaalsContact O-CB 3.31Å; D51-R55 WeakPolarHBondContact O-CB 3.32Å; D51-R55 VanDerWaalsContact O-CG 3.27Å; D51-R55 WeakPolarHBondContact O-CG 3.38Å; D51-R55 PolarHBondContact O-N 3.22Å; D51-R55 PolarHBondContact O-NE 3.15Å; D51-R55 VanDerWaalsContact O-NE 3.14Å; I52-R55 PolarHBondContact O-N 3.29Å; R55-G57 PolarHBondContact O-N 3.24Å
56	S	96.2	Very high	96.6	Very high	35 Å²	35	67.8 Å²	67.8	25%	0.245	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-5.6	174.5	-60.5	0	0	0	0	112.9	I52 I53 L54 R105 I115	I52-S56 VanDerWaalsContact O-CB 3.27Å; I52-S56 WeakPolarHBondContact O-CB 3.5Å; I52-S56 PolarHBondContact O-N 3.15Å; I52-S56 PolarHBondContact O-OG 2.97Å; I53-S56 WeakPolarHBondContact O-CB 3.41Å; I53-S56 PolarHBondContact O-N 2.82Å; L54-S56 PolarHBondContact O-N 3.37Å; S56-R105 VanDerWaalsContact O-CZ 3.29Å; S56-R105 PolarHBondContact O-NH1 2.85Å; S56-R105 PolarHBondContact O-NH2 3.39Å; S56-I115 VanDerWaalsContact CB-CD1 3.47Å
57	G	92.6	Very high	96.6	Very high	49 Å²	49	73 Å²	73	51%	0.505	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.6	16.7	176.6	0	0	0	0	0	114.6	L54 R55	L54-G57 PolarHBondContact O-N 2.87Å; R55-G57 PolarHBondContact O-N 3.24Å
58	F	96.9	Very high	96.5	Very high	6 Å²	6	65.9 Å²	65.9	3%	0.026	32%	0.324	C	S	.	.			trans	-82	147.6	169.8	-75.5	-88.4	0	0	0	111.4	T34 I53 L103 R105 A108 H111 W112 I115	T34-F58 HydrophobicContact CG2-CE1 4.35Å; I53-F58 HydrophobicContact CG2-CB 3.66Å; I53-F58 HydrophobicContact CG2-CD2 4.42Å; I53-F58 HydrophobicContact CG2-CG 4.23Å; I53-F58 PolarHBondContact O-N 3.43Å; F58-L103 HydrophobicContact CD1-CB 3.71Å; F58-L103 HydrophobicContact CD1-CD1 4.11Å; F58-L103 HydrophobicContact CE1-CB 4.28Å; F58-L103 HydrophobicContact CE1-CD1 4.43Å; F58-L103 HydrophobicContact CG-CB 4.43Å; F58-L103 HydrophobicContact CG-CD1 4.31Å; F58-R105 HydrophobicContact CD1-CB 3.67Å; F58-R105 HydrophobicContact CD1-CG 4.46Å; F58-R105 HydrophobicContact CE1-CB 3.74Å; F58-R105 HydrophobicContact CE1-CG 4.48Å; F58-R105 HydrophobicContact CG-CB 4.4Å; F58-R105 HydrophobicContact CZ-CB 4.46Å; F58-A108 HydrophobicContact CE1-CB 3.9Å; F58-A108 WeakPolarHBondContact CZ-O 3.24Å; F58-H111 HydrophobicContact CE2-CB 4.14Å; F58-H111 HydrophobicContact CZ-CB 3.69Å; F58-W112 HydrophobicContact CE1-CB 4.43Å; F58-W112 HydrophobicContact CZ-CB 3.94Å; F58-I115 HydrophobicContact CD2-CD1 4.3Å; F58-I115 HydrophobicContact CE2-CD1 3.57Å
59	T	93	Very high	96.5	Very high	85 Å²	85	63 Å²	63	52%	0.521	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	128.8	161.9	-58.6	0	0	0	0	109.1	L61 L103 A104	T59-L61 HydrophobicContact CG2-CD2 4.14Å; T59-L61 PolarHBondContact O-N 3.29Å; T59-L103 CarbonylContact O-C 3.58Å; T59-L103 WeakPolarHBondContact O-CA 3.44Å; T59-A104 PolarHBondContact N-O 3.41Å; T59-A104 PolarHBondContact O-N 3.33Å
60	I	95.6	Very high	96.4	Very high	45 Å²	45	66 Å²	66	23%	0.231	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	105.5	170.9	-58.2	175.2	0	0	0	107.3	I53 L54 K63 L101 L103	I53-I60 HydrophobicContact CG2-CG1 4.27Å; L54-I60 HydrophobicContact CD2-CD1 4.02Å; L54-I60 HydrophobicContact CD2-CG1 4.09Å; L54-I60 HydrophobicContact CG-CD1 4.24Å; I60-K63 HydrophobicContact CG2-CB 4.32Å; I60-L101 HydrophobicContact CG2-CD2 4.06Å; I60-L103 HydrophobicContact CB-CD2 4.43Å; I60-L103 HydrophobicContact CG1-CD2 3.8Å
61	L	93.1	Very high	96.3	Very high	78 Å²	78	70.7 Å²	70.7	41%	0.408	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	-41.3	178.3	-62.6	-177.3	0	0	0	111.4	R33 T59 A102 A104 I167	R33-L61 HydrophobicContact CG-CD1 4.12Å; T59-L61 HydrophobicContact CG2-CD2 4.14Å; T59-L61 PolarHBondContact O-N 3.29Å; L61-A102 HydrophobicContact CB-CB 4.38Å; L61-A102 WeakPolarHBondContact CB-O 3.22Å; L61-A102 PolarHBondContact N-O 2.72Å; L61-A104 HydrophobicContact CD1-CB 3.73Å; L61-A104 HydrophobicContact CD2-CB 3.92Å; L61-A104 HydrophobicContact CG-CB 3.72Å; L61-I167 HydrophobicContact CD1-CG2 4.38Å
62	Q	94.8	Very high	96.3	Very high	55 Å²	55	70.6 Å²	70.6	26%	0.257	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	149	-179.1	-60.5	-165.3	-9.8	0	0	110.7	L101 A102 F162 S165 I167	Q62-L101 WeakPolarHBondContact O-CA 3.23Å; Q62-A102 HydrophobicContact CB-CB 4.14Å; Q62-A102 PolarHBondContact O-N 2.93Å; Q62-F162 HydrophobicContact CB-CD1 3.95Å; Q62-F162 HydrophobicContact CB-CE1 3.64Å; Q62-F162 HydrophobicContact CB-CZ 4.03Å; Q62-F162 VanDerWaalsContact OE1-CG 3.31Å; Q62-S165 PolarHBondContact NE2-OG 3.17Å; Q62-S165 PolarHBondContact OE1-OG 2.79Å; Q62-I167 VanDerWaalsContact CD-CD1 3.43Å; Q62-I167 HydrophobicContact CG-CD1 4.06Å
63	K	96.6	Very high	96.3	Very high	113 Å²	113	69.1 Å²	69.1	49%	0.491	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	135.8	177.4	172.5	173	176.2	176.9	0	109.4	E50 I60 I99 A100 L101	E50-K63 WeakPolarHBondContact OE1-CE 3.38Å; E50-K63 IonicContact OE1-NZ 3.53Å; E50-K63 PolarHBondContact OE1-NZ 2.99Å; E50-K63 IonicContact OE2-NZ 2.76Å; E50-K63 PolarHBondContact OE2-NZ 3.45Å; I60-K63 HydrophobicContact CG2-CB 4.32Å; K63-I99 HydrophobicContact CG-CG2 4.18Å; K63-A100 CarbonylContact C-O 3.58Å; K63-A100 WeakPolarHBondContact CA-O 3.41Å; K63-L101 HydrophobicContact CB-CD2 3.65Å; K63-L101 HydrophobicContact CD-CD2 3.92Å; K63-L101 HydrophobicContact CG-CD2 3.56Å
64	R	95.5	Very high	96.2	Very high	113 Å²	113	70.9 Å²	70.9	43%	0.426	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	126.3	176.3	-174.5	-179.7	177.8	-168.5	-1.1	110.1	L66 I99 A100 M161 F162	R64-L66 HydrophobicContact CB-CD2 4.46Å; R64-L66 HydrophobicContact CG-CB 4.48Å; R64-L66 HydrophobicContact CG-CD2 4.17Å; R64-L66 WeakPolarHBondContact O-CD2 3.38Å; R64-I99 WeakPolarHBondContact O-CA 3.46Å; R64-A100 PolarHBondContact N-O 2.91Å; R64-A100 PolarHBondContact O-N 2.92Å; R64-M161 PolarHBondContact NH1-O 3.06Å; R64-F162 HydrophobicContact CB-CD1 4.35Å; R64-F162 HydrophobicContact CB-CE1 3.62Å; R64-F162 HydrophobicContact CB-CZ 4.27Å
65	K	97.5	Very high	96.2	Very high	136 Å²	136	72 Å²	72	59%	0.591	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	128.5	165.5	-170.9	173.6	-177.9	174.9	0	108.4	P97 I98 I99	K65-P97 HydrophobicContact CG-CB 4.48Å; K65-I98 WeakPolarHBondContact CA-O 3Å; K65-I99 HydrophobicContact CB-CG1 4.19Å; K65-I99 HydrophobicContact CD-CG1 4.49Å; K65-I99 HydrophobicContact CG-CG1 4.08Å
66	L	96.1	Very high	96.1	Very high	22 Å²	22	63.7 Å²	63.7	12%	0.115	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	163.6	-177	67.3	167.5	0	0	0	110.5	R64 L68 P97 I98 A100 M161	R64-L66 HydrophobicContact CB-CD2 4.46Å; R64-L66 HydrophobicContact CG-CB 4.48Å; R64-L66 HydrophobicContact CG-CD2 4.17Å; R64-L66 WeakPolarHBondContact O-CD2 3.38Å; L66-L68 HydrophobicContact CD1-CD2 3.66Å; L66-L68 HydrophobicContact CD1-CG 4.36Å; L66-L68 HydrophobicContact CG-CD2 4.43Å; L66-P97 CarbonylContact O-C 3.02Å; L66-P97 WeakPolarHBondContact O-CA 3.2Å; L66-I98 HydrophobicContact CD2-CD1 4.13Å; L66-I98 HydrophobicContact CD2-CG1 3.77Å; L66-I98 HydrophobicContact CG-CD1 4.28Å; L66-I98 HydrophobicContact CG-CG1 3.96Å; L66-I98 PolarHBondContact N-O 3.23Å; L66-I98 WeakPolarHBondContact O-CG1 3.05Å; L66-I98 PolarHBondContact O-N 3.23Å; L66-A100 HydrophobicContact CD2-CB 3.95Å; L66-M161 HydrophobicContact CD1-SD 4.09Å
67	Q	97.4	Very high	96.1	Very high	119 Å²	119	62.8 Å²	62.8	56%	0.556	32%	0.324	S	S	*	.			trans	-125.3	123.2	169.7	179.7	166.8	-5.1	0	0	107.4	S94	Q67-S94 PolarHBondContact NE2-O 3.26Å
68	L	96.9	Very high	96.2	Very high	9 Å²	9	63.2 Å²	63.2	5%	0.047	32%	0.323	C	S	.	.			trans	-88.3	144.2	-178.6	-64.3	179.6	0	0	0	110	L66 Q72 C73 S94 I98 F160 M161	L66-L68 HydrophobicContact CD1-CD2 3.66Å; L66-L68 HydrophobicContact CD1-CG 4.36Å; L66-L68 HydrophobicContact CG-CD2 4.43Å; L68-Q72 HydrophobicContact CB-CB 4.11Å; L68-Q72 HydrophobicContact CD2-CB 4.16Å; L68-C73 VanDerWaalsContact CB-SG 3.51Å; L68-S94 WeakPolarHBondContact O-CA 3.41Å; L68-S94 WeakPolarHBondContact O-CB 2.98Å; L68-I98 HydrophobicContact CD1-CD1 3.9Å; L68-I98 HydrophobicContact CG-CD1 4.12Å; L68-F160 HydrophobicContact CD2-CE1 4.41Å; L68-M161 HydrophobicContact CD1-CE 3.9Å
69	S	97.7	Very high	96	Very high	40 Å²	40	68.6 Å²	68.6	28%	0.28	35%	0.348	S	S	.	.			trans	-71	161.3	167.7	85.7	0	0	0	0	110.9	E71 Q72 C73	S69-E71 WeakPolarHBondContact CB-OE2 3.47Å; S69-E71 PolarHBondContact O-N 2.98Å; S69-E71 PolarHBondContact OG-N 2.86Å; S69-E71 PolarHBondContact OG-OE2 3.48Å; S69-Q72 PolarHBondContact O-N 3.34Å; S69-Q72 VanDerWaalsContact O-N 3.16Å; S69-Q72 PolarHBondContact OG-N 2.6Å; S69-C73 PolarHBondContact O-N 3.01Å
70	P	96.8	Very high	96	Very high	63 Å²	63	66.7 Å²	66.7	41%	0.409	33%	0.333	S	S	.	.	H	α-helix	trans	-54.6	-36.5	174.2	-26.1	35.2	0	0	0	113.4	C73 S74	P70-C73 PolarHBondContact O-N 2.9Å; P70-S74 WeakPolarHBondContact O-CB 3.44Å; P70-S74 PolarHBondContact O-N 3Å; P70-S74 PolarHBondContact O-OG 3.49Å
71	E	96.8	Very high	95.9	Very high	122 Å²	122	73.4 Å²	73.4	57%	0.57	36%	0.357	S	S	*	.	H	α-helix	trans	-66	-48.9	176.6	-56.4	70.8	-149.9	0	0	110.3	S69 C73 S74 D75	S69-E71 WeakPolarHBondContact CB-OE2 3.47Å; S69-E71 PolarHBondContact O-N 2.98Å; S69-E71 PolarHBondContact OG-N 2.86Å; S69-E71 PolarHBondContact OG-OE2 3.48Å; E71-C73 VanDerWaalsContact C-N 3.3Å; E71-C73 PolarHBondContact O-N 2.97Å; E71-S74 WeakPolarHBondContact O-CA 3.17Å; E71-S74 WeakPolarHBondContact O-CB 3.38Å; E71-S74 PolarHBondContact O-N 3.49Å; E71-D75 PolarHBondContact O-N 3.29Å
72	Q	97.1	Very high	95.9	Very high	86 Å²	86	73.1 Å²	73.1	40%	0.402	37%	0.373	S	S	.	.	H	α-helix	trans	-61.7	-37.2	176.7	-68.4	175	-32.2	0	0	112.3	L68 S69 S74 F76 F160	L68-Q72 HydrophobicContact CB-CB 4.11Å; L68-Q72 HydrophobicContact CD2-CB 4.16Å; S69-Q72 PolarHBondContact O-N 3.34Å; S69-Q72 VanDerWaalsContact O-N 3.16Å; S69-Q72 PolarHBondContact OG-N 2.6Å; Q72-S74 VanDerWaalsContact C-N 3.33Å; Q72-F76 WeakPolarHBondContact O-CB 3.49Å; Q72-F76 PolarHBondContact O-N 3.43Å; Q72-F160 HydrophobicContact CB-CZ 4.38Å; Q72-F160 WeakPolarHBondContact O-CZ 3.33Å
73	C	97.8	Very high	95.9	Very high	0 Å²	0	75 Å²	75	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-64.9	-39.3	172.5	-72.6	0	0	0	0	111.9	L68 S69 P70 E71 F76 Y77 T90 M93 S94	L68-C73 VanDerWaalsContact CB-SG 3.51Å; S69-C73 PolarHBondContact O-N 3.01Å; P70-C73 PolarHBondContact O-N 2.9Å; E71-C73 VanDerWaalsContact C-N 3.3Å; E71-C73 PolarHBondContact O-N 2.97Å; C73-F76 PolarHBondContact O-N 3.35Å; C73-Y77 VanDerWaalsContact O-CD2 3.31Å; C73-Y77 WeakPolarHBondContact O-CD2 3.37Å; C73-Y77 PolarHBondContact O-N 2.84Å; C73-T90 HydrophobicContact CB-CG2 4.4Å; C73-M93 HydrophobicContact CB-CB 4.31Å; C73-M93 VanDerWaalsContact SG-C 3.54Å; C73-M93 VanDerWaalsContact SG-CB 3.56Å; C73-S94 PolarHBondContact SG-N 3.31Å
74	S	96.8	Very high	95.8	Very high	37 Å²	37	78.1 Å²	78.1	26%	0.259	40%	0.401	S	S	.	.	H	α-helix	trans	-64.4	-43	177.7	-57.6	0	0	0	0	111.2	P70 E71 Q72 Y77 A78 T90	P70-S74 WeakPolarHBondContact O-CB 3.44Å; P70-S74 PolarHBondContact O-N 3Å; P70-S74 PolarHBondContact O-OG 3.49Å; E71-S74 WeakPolarHBondContact O-CA 3.17Å; E71-S74 WeakPolarHBondContact O-CB 3.38Å; E71-S74 PolarHBondContact O-N 3.49Å; Q72-S74 VanDerWaalsContact C-N 3.33Å; S74-Y77 CarbonylContact O-C 3.47Å; S74-Y77 PolarHBondContact O-N 2.95Å; S74-A78 WeakPolarHBondContact O-CA 3.27Å; S74-A78 PolarHBondContact O-N 3.47Å; S74-A78 VanDerWaalsContact O-N 3.08Å; S74-T90 WeakPolarHBondContact OG-CG2 3.32Å
75	D	96.8	Very high	95.8	Very high	110 Å²	110	77.7 Å²	77.7	59%	0.588	40%	0.402	S	S	*	.	H	α-helix	trans	-63.8	-44.7	175.4	-68.4	-20	0	0	0	111.7	E71 Y77 A78 F160	E71-D75 PolarHBondContact O-N 3.29Å; D75-Y77 VanDerWaalsContact C-N 3.33Å; D75-Y77 PolarHBondContact O-N 3.33Å; D75-A78 WeakPolarHBondContact O-CB 3.46Å; D75-A78 PolarHBondContact O-N 3Å; D75-F160 HydrophobicContact CB-CE2 4.09Å; D75-F160 HydrophobicContact CB-CZ 4.41Å
76	F	97	Very high	95.7	Very high	14 Å²	14	72.1 Å²	72.1	6%	0.061	38%	0.378	C	S	.	.	H	α-helix	trans	-62.2	-39.6	178.6	-178.3	-100	0	0	0	112.3	L35 L37 Q72 C73 E157 F160 M161	L35-F76 HydrophobicContact CD2-CE2 3.88Å; L35-F76 HydrophobicContact CD2-CZ 3.72Å; L37-F76 HydrophobicContact CD1-CE1 3.86Å; L37-F76 HydrophobicContact CD1-CZ 3.86Å; Q72-F76 WeakPolarHBondContact O-CB 3.49Å; Q72-F76 PolarHBondContact O-N 3.43Å; C73-F76 PolarHBondContact O-N 3.35Å; F76-E157 HydrophobicContact CE2-CB 3.87Å; F76-E157 HydrophobicContact CE2-CG 3.71Å; F76-E157 HydrophobicContact CZ-CB 4.26Å; F76-E157 HydrophobicContact CZ-CG 3.88Å; F76-F160 HydrophobicContact CB-CD1 4.36Å; F76-F160 HydrophobicContact CB-CE1 3.92Å; F76-F160 HydrophobicContact CB-CE2 4.46Å; F76-F160 HydrophobicContact CB-CZ 3.97Å; F76-F160 HydrophobicContact CD2-CB 4.38Å; F76-F160 AromaticContact CD2-CD1 3.62Å; F76-F160 HydrophobicContact CD2-CD1 3.62Å; F76-F160 HydrophobicContact CD2-CE1 4.02Å; F76-F160 AromaticContact CD2-CG 3.98Å; F76-F160 HydrophobicContact CD2-CG 3.98Å; F76-F160 HydrophobicContact CE2-CD1 4.44Å; F76-F160 HydrophobicContact CG-CD1 4.4Å; F76-F160 HydrophobicContact CG-CE1 4.36Å; F76-M161 HydrophobicContact CD1-CE 4.37Å; F76-M161 HydrophobicContact CD2-CE 3.54Å; F76-M161 HydrophobicContact CE1-CE 4.27Å; F76-M161 HydrophobicContact CE2-CE 3.4Å; F76-M161 VanDerWaalsContact CE2-CE 3.4Å; F76-M161 HydrophobicContact CE2-CG 4.47Å; F76-M161 HydrophobicContact CG-CE 4.03Å; F76-M161 HydrophobicContact CZ-CE 3.81Å
77	Y	95.8	Very high	95.8	Very high	17 Å²	17	74.9 Å²	74.9	7%	0.067	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	22.9	179.6	-69	-70.8	0	0	0	113.7	C73 S74 D75 E79 Q80 F86 L89 M93	C73-Y77 VanDerWaalsContact O-CD2 3.31Å; C73-Y77 WeakPolarHBondContact O-CD2 3.37Å; C73-Y77 PolarHBondContact O-N 2.84Å; S74-Y77 CarbonylContact O-C 3.47Å; S74-Y77 PolarHBondContact O-N 2.95Å; D75-Y77 VanDerWaalsContact C-N 3.33Å; D75-Y77 PolarHBondContact O-N 3.33Å; Y77-E79 PolarHBondContact O-N 3.48Å; Y77-Q80 HydrophobicContact CD1-CG 4.41Å; Y77-Q80 WeakPolarHBondContact O-CA 3.4Å; Y77-Q80 WeakPolarHBondContact O-CB 3.44Å; Y77-Q80 PolarHBondContact O-N 3.2Å; Y77-F86 VanDerWaalsContact O-CE2 3.25Å; Y77-F86 WeakPolarHBondContact O-CE2 3.43Å; Y77-L89 HydrophobicContact CD1-CD2 3.69Å; Y77-L89 HydrophobicContact CD1-CG 4.47Å; Y77-L89 HydrophobicContact CD2-CD2 4.04Å; Y77-L89 HydrophobicContact CD2-CG 4.04Å; Y77-L89 HydrophobicContact CE1-CD1 4.48Å; Y77-L89 HydrophobicContact CE1-CD2 4.06Å; Y77-L89 HydrophobicContact CE2-CD1 4.25Å; Y77-L89 HydrophobicContact CE2-CD2 4.43Å; Y77-L89 HydrophobicContact CE2-CG 4.2Å; Y77-L89 HydrophobicContact CG-CD2 3.67Å; Y77-L89 HydrophobicContact CG-CG 4.19Å; Y77-M93 HydrophobicContact CE2-CB 4.17Å; Y77-M93 HydrophobicContact CE2-CE 4.3Å; Y77-M93 HydrophobicContact CE2-CG 3.63Å; Y77-M93 HydrophobicContact CE2-SD 4.42Å
78	A	95.1	Very high	95.8	Very high	57 Å²	57	72.3 Å²	72.3	47%	0.471	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-53.6	-32	-173.7	0	0	0	0	0	114.3	S74 D75 Q80 Y81	S74-A78 WeakPolarHBondContact O-CA 3.27Å; S74-A78 PolarHBondContact O-N 3.47Å; S74-A78 VanDerWaalsContact O-N 3.08Å; D75-A78 WeakPolarHBondContact O-CB 3.46Å; D75-A78 PolarHBondContact O-N 3Å; A78-Q80 PolarHBondContact O-N 3.27Å; A78-Y81 WeakPolarHBondContact O-CB 3.31Å; A78-Y81 PolarHBondContact O-N 3.22Å
79	E	92.9	Very high	95.8	Very high	120 Å²	120	72.5 Å²	72.5	56%	0.561	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-65.1	-16.8	175.4	-66.8	178.2	163.6	0	0	113.9	Y77 R156	Y77-E79 PolarHBondContact O-N 3.48Å; E79-R156 IonicContact OE1-CZ 2.69Å; E79-R156 IonicContact OE1-NH1 2.74Å; E79-R156 PolarHBondContact OE1-NH1 3.01Å; E79-R156 IonicContact OE1-NH2 2.71Å; E79-R156 PolarHBondContact OE1-NH2 3.35Å; E79-R156 IonicContact OE2-CZ 2.97Å; E79-R156 IonicContact OE2-NH2 2.68Å; E79-R156 PolarHBondContact OE2-NH2 3.23Å
80	Q	92.9	Very high	95.8	Very high	44 Å²	44	71.2 Å²	71.2	21%	0.206	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-93.9	0.3	176.3	-50.2	-55.8	-45.5	0	0	112.4	Y77 A78 K83 F85 F86 L89	Y77-Q80 HydrophobicContact CD1-CG 4.41Å; Y77-Q80 WeakPolarHBondContact O-CA 3.4Å; Y77-Q80 WeakPolarHBondContact O-CB 3.44Å; Y77-Q80 PolarHBondContact O-N 3.2Å; A78-Q80 PolarHBondContact O-N 3.27Å; Q80-K83 HydrophobicContact CB-CD 4.44Å; Q80-K83 WeakPolarHBondContact O-CB 3.39Å; Q80-K83 WeakPolarHBondContact O-CG 3.4Å; Q80-K83 PolarHBondContact O-N 3.22Å; Q80-F85 HydrophobicContact CB-CE2 4.41Å; Q80-F86 HydrophobicContact CB-CD2 3.8Å; Q80-F86 HydrophobicContact CB-CE2 4.36Å; Q80-F86 WeakPolarHBondContact O-CB 3.34Å; Q80-L89 HydrophobicContact CG-CD2 4.45Å
81	Y	93.4	Very high	95.8	Very high	187 Å²	187	71 Å²	71	73%	0.733	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	141.4	178	-175.2	-95.6	0	0	0	111.5	A78 K83 F86	A78-Y81 WeakPolarHBondContact O-CB 3.31Å; A78-Y81 PolarHBondContact O-N 3.22Å; Y81-K83 VanDerWaalsContact C-N 3.28Å; Y81-K83 PolarHBondContact O-N 3.06Å; Y81-F86 HydrophobicContact CD2-CD1 4.25Å; Y81-F86 AromaticContact CD2-CE1 3.79Å; Y81-F86 HydrophobicContact CD2-CE1 3.79Å; Y81-F86 HydrophobicContact CD2-CZ 4.31Å
82	G	93.2	Very high	95.9	Very high	71 Å²	71	66 Å²	66	73%	0.732	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-8.5	-176.8	0	0	0	0	0	115.1
83	K	94.6	Very high	95.9	Very high	96 Å²	96	62 Å²	62	42%	0.417	35%	0.345	S	S	.	.	S	Bend	trans	-79.7	142.2	172.5	-60.3	-175.5	-176.7	-178.6	0	110.8	Q80 Y81 F85 F86	Q80-K83 HydrophobicContact CB-CD 4.44Å; Q80-K83 WeakPolarHBondContact O-CB 3.39Å; Q80-K83 WeakPolarHBondContact O-CG 3.4Å; Q80-K83 PolarHBondContact O-N 3.22Å; Y81-K83 VanDerWaalsContact C-N 3.28Å; Y81-K83 PolarHBondContact O-N 3.06Å; K83-F85 HydrophobicContact CB-CD1 4.04Å; K83-F85 HydrophobicContact CB-CE1 3.73Å; K83-F85 HydrophobicContact CB-CE2 4.44Å; K83-F85 HydrophobicContact CB-CZ 3.95Å; K83-F85 HydrophobicContact CD-CE1 3.57Å; K83-F85 HydrophobicContact CD-CE2 4.31Å; K83-F85 HydrophobicContact CD-CZ 3.35Å; K83-F85 HydrophobicContact CG-CE1 4.22Å; K83-F85 HydrophobicContact CG-CZ 4.28Å; K83-F85 PolarHBondContact O-N 3.02Å; K83-F85 VanDerWaalsContact O-N 3.12Å; K83-F86 WeakPolarHBondContact O-CB 3.42Å; K83-F86 PolarHBondContact O-N 2.85Å
84	L	94.6	Very high	96	Very high	178 Å²	178	62.9 Å²	62.9	93%	0.932	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-32.8	-177.8	-68.8	173.9	0	0	0	113.6	F86	L84-F86 VanDerWaalsContact C-N 3.35Å
85	F	93.7	Very high	96	Very high	103 Å²	103	64.9 Å²	64.9	45%	0.452	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-7.5	179.9	64.1	-101	0	0	0	114	Q80 K83 S88 L89	Q80-F85 HydrophobicContact CB-CE2 4.41Å; K83-F85 HydrophobicContact CB-CD1 4.04Å; K83-F85 HydrophobicContact CB-CE1 3.73Å; K83-F85 HydrophobicContact CB-CE2 4.44Å; K83-F85 HydrophobicContact CB-CZ 3.95Å; K83-F85 HydrophobicContact CD-CE1 3.57Å; K83-F85 HydrophobicContact CD-CE2 4.31Å; K83-F85 HydrophobicContact CD-CZ 3.35Å; K83-F85 HydrophobicContact CG-CE1 4.22Å; K83-F85 HydrophobicContact CG-CZ 4.28Å; K83-F85 PolarHBondContact O-N 3.02Å; K83-F85 VanDerWaalsContact O-N 3.12Å; F85-S88 PolarHBondContact O-N 2.9Å; F85-L89 HydrophobicContact CD2-CB 4.4Å; F85-L89 HydrophobicContact CD2-CD2 4.47Å; F85-L89 HydrophobicContact CE2-CD2 4.25Å; F85-L89 PolarHBondContact O-N 2.8Å
86	F	96.4	Very high	96.1	Very high	20 Å²	20	60.1 Å²	60.1	9%	0.088	34%	0.342	C	S	.	.	H	α-helix	trans	-58.7	-47.1	-173	177.9	-105.4	0	0	0	113.4	Y77 Q80 Y81 K83 L84 S88 L89 T90	Y77-F86 VanDerWaalsContact O-CE2 3.25Å; Y77-F86 WeakPolarHBondContact O-CE2 3.43Å; Q80-F86 HydrophobicContact CB-CD2 3.8Å; Q80-F86 HydrophobicContact CB-CE2 4.36Å; Q80-F86 WeakPolarHBondContact O-CB 3.34Å; Y81-F86 HydrophobicContact CD2-CD1 4.25Å; Y81-F86 AromaticContact CD2-CE1 3.79Å; Y81-F86 HydrophobicContact CD2-CE1 3.79Å; Y81-F86 HydrophobicContact CD2-CZ 4.31Å; K83-F86 WeakPolarHBondContact O-CB 3.42Å; K83-F86 PolarHBondContact O-N 2.85Å; L84-F86 VanDerWaalsContact C-N 3.35Å; F86-S88 VanDerWaalsContact C-N 3.28Å; F86-S88 PolarHBondContact O-N 3.39Å; F86-L89 WeakPolarHBondContact O-CB 3.39Å; F86-L89 PolarHBondContact O-N 3.42Å; F86-L89 VanDerWaalsContact O-N 3.13Å; F86-T90 HydrophobicContact CD2-CG2 4.26Å; F86-T90 HydrophobicContact CE1-CG2 4.1Å; F86-T90 HydrophobicContact CE2-CG2 3.84Å; F86-T90 HydrophobicContact CZ-CG2 3.76Å; F86-T90 WeakPolarHBondContact O-CG2 3.44Å; F86-T90 PolarHBondContact O-N 3.34Å; F86-T90 PolarHBondContact O-OG1 3.45Å
87	P	97.1	Very high	96.1	Very high	79 Å²	79	61.6 Å²	61.6	51%	0.513	35%	0.353	S	S	.	.	H	α-helix	trans	-62.2	-35.5	177.6	-23	35.1	0	0	0	113.1	T90 A91	P87-T90 PolarHBondContact O-OG1 2.95Å; P87-A91 VanDerWaalsContact O-CB 3.29Å; P87-A91 WeakPolarHBondContact O-CB 3.45Å; P87-A91 PolarHBondContact O-N 2.63Å
88	S	97.6	Very high	96.3	Very high	65 Å²	65	60.8 Å²	60.8	46%	0.455	35%	0.35	S	S	.	.	H	α-helix	trans	-71.2	-34.9	176.6	-54.6	0	0	0	0	111.9	F85 F86 F92	F85-S88 PolarHBondContact O-N 2.9Å; F86-S88 VanDerWaalsContact C-N 3.28Å; F86-S88 PolarHBondContact O-N 3.39Å; S88-F92 WeakPolarHBondContact O-CB 3.26Å; S88-F92 PolarHBondContact O-N 2.91Å
89	L	96.9	Very high	96.4	Very high	13 Å²	13	58.5 Å²	58.5	7%	0.068	33%	0.329	C	S	.	.	H	α-helix	trans	-63.1	-48.3	174.2	177.3	62.3	0	0	0	111.7	Y77 Q80 F85 F86 F92 M93 L141	Y77-L89 HydrophobicContact CD1-CD2 3.69Å; Y77-L89 HydrophobicContact CD1-CG 4.47Å; Y77-L89 HydrophobicContact CD2-CD2 4.04Å; Y77-L89 HydrophobicContact CD2-CG 4.04Å; Y77-L89 HydrophobicContact CE1-CD1 4.48Å; Y77-L89 HydrophobicContact CE1-CD2 4.06Å; Y77-L89 HydrophobicContact CE2-CD1 4.25Å; Y77-L89 HydrophobicContact CE2-CD2 4.43Å; Y77-L89 HydrophobicContact CE2-CG 4.2Å; Y77-L89 HydrophobicContact CG-CD2 3.67Å; Y77-L89 HydrophobicContact CG-CG 4.19Å; Q80-L89 HydrophobicContact CG-CD2 4.45Å; F85-L89 HydrophobicContact CD2-CB 4.4Å; F85-L89 HydrophobicContact CD2-CD2 4.47Å; F85-L89 HydrophobicContact CE2-CD2 4.25Å; F85-L89 PolarHBondContact O-N 2.8Å; F86-L89 WeakPolarHBondContact O-CB 3.39Å; F86-L89 PolarHBondContact O-N 3.42Å; F86-L89 VanDerWaalsContact O-N 3.13Å; L89-F92 PolarHBondContact O-N 2.94Å; L89-M93 HydrophobicContact CD1-CG 3.93Å; L89-M93 WeakPolarHBondContact O-CB 3.39Å; L89-M93 VanDerWaalsContact O-CG 3.24Å; L89-M93 WeakPolarHBondContact O-CG 3.48Å; L89-M93 PolarHBondContact O-N 3.36Å; L89-L141 HydrophobicContact CB-CD1 4.1Å; L89-L141 HydrophobicContact CD1-CD1 4.11Å
90	T	97.8	Very high	96.7	Very high	14 Å²	14	52.8 Å²	52.8	9%	0.086	30%	0.303	C	S	.	.	H	α-helix	trans	-65	-48.4	179.9	57	0	0	0	0	110.7	C73 S74 F86 P87 F92 M93 S94	C73-T90 HydrophobicContact CB-CG2 4.4Å; S74-T90 WeakPolarHBondContact OG-CG2 3.32Å; F86-T90 HydrophobicContact CD2-CG2 4.26Å; F86-T90 HydrophobicContact CE1-CG2 4.1Å; F86-T90 HydrophobicContact CE2-CG2 3.84Å; F86-T90 HydrophobicContact CZ-CG2 3.76Å; F86-T90 WeakPolarHBondContact O-CG2 3.44Å; F86-T90 PolarHBondContact O-N 3.34Å; F86-T90 PolarHBondContact O-OG1 3.45Å; P87-T90 PolarHBondContact O-OG1 2.95Å; T90-F92 VanDerWaalsContact C-N 3.33Å; T90-F92 PolarHBondContact O-N 2.97Å; T90-M93 PolarHBondContact O-N 2.92Å; T90-S94 PolarHBondContact O-N 3.39Å; T90-S94 PolarHBondContact O-OG 2.76Å
91	A	97.9	Very high	96.9	Very high	57 Å²	57	50.7 Å²	50.7	47%	0.471	29%	0.293	S	S	.	.	H	α-helix	trans	-59.1	-41.8	177.6	0	0	0	0	0	112.9	P87 S94 S95	P87-A91 VanDerWaalsContact O-CB 3.29Å; P87-A91 WeakPolarHBondContact O-CB 3.45Å; P87-A91 PolarHBondContact O-N 2.63Å; A91-S94 PolarHBondContact O-OG 3.09Å; A91-S94 VanDerWaalsContact O-OG 3.11Å; A91-S95 PolarHBondContact O-N 2.87Å
92	F	98.3	Very high	97.1	Very high	19 Å²	19	41.8 Å²	41.8	8%	0.083	26%	0.258	C	S	.	.	H	α-helix	trans	-66.3	-47.4	177.3	169.6	-122.4	0	0	0	111.8	K39 P40 D41 S88 L89 T90 S94 S95 L141 R142	K39-F92 HydrophobicContact CB-CE1 4.44Å; K39-F92 HydrophobicContact CB-CZ 4.46Å; K39-F92 HydrophobicContact CD-CE1 4.06Å; P40-F92 HydrophobicContact CB-CE2 4.35Å; D41-F92 HydrophobicContact CB-CE2 4.32Å; D41-F92 HydrophobicContact CB-CZ 3.97Å; D41-F92 WeakPolarHBondContact OD1-CZ 3.29Å; S88-F92 WeakPolarHBondContact O-CB 3.26Å; S88-F92 PolarHBondContact O-N 2.91Å; L89-F92 PolarHBondContact O-N 2.94Å; T90-F92 VanDerWaalsContact C-N 3.33Å; T90-F92 PolarHBondContact O-N 2.97Å; F92-S94 PolarHBondContact O-N 2.94Å; F92-S95 VanDerWaalsContact O-CB 3.3Å; F92-S95 WeakPolarHBondContact O-CB 3.07Å; F92-S95 PolarHBondContact O-N 3.49Å; F92-S95 PolarHBondContact O-OG 3.14Å; F92-L141 HydrophobicContact CB-CD1 4.37Å; F92-L141 HydrophobicContact CB-CD2 4.01Å; F92-L141 HydrophobicContact CB-CG 4.14Å; F92-L141 HydrophobicContact CD1-CD1 4.21Å; F92-L141 HydrophobicContact CD1-CG 3.88Å; F92-L141 VanDerWaalsContact CE1-O 3.24Å; F92-L141 WeakPolarHBondContact CE1-O 3.38Å; F92-L141 HydrophobicContact CG-CD2 4.35Å; F92-L141 HydrophobicContact CG-CG 4.13Å; F92-R142 HydrophobicContact CD2-CG 4.29Å; F92-R142 HydrophobicContact CE1-CG 4.22Å; F92-R142 HydrophobicContact CE2-CG 3.8Å; F92-R142 HydrophobicContact CZ-CB 4.3Å; F92-R142 HydrophobicContact CZ-CG 3.76Å
93	M	98.3	Very high	97.3	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-67.4	-26.4	-177.3	-71.1	-68.7	-49	0	0	112.8	L37 K39 C73 Y77 L89 T90 I98	L37-M93 HydrophobicContact CD1-CE 4.27Å; K39-M93 HydrophobicContact CB-SD 4.37Å; K39-M93 HydrophobicContact CD-SD 3.85Å; K39-M93 HydrophobicContact CG-CE 4.3Å; K39-M93 HydrophobicContact CG-SD 3.81Å; C73-M93 HydrophobicContact CB-CB 4.31Å; C73-M93 VanDerWaalsContact SG-C 3.54Å; C73-M93 VanDerWaalsContact SG-CB 3.56Å; Y77-M93 HydrophobicContact CE2-CB 4.17Å; Y77-M93 HydrophobicContact CE2-CE 4.3Å; Y77-M93 HydrophobicContact CE2-CG 3.63Å; Y77-M93 HydrophobicContact CE2-SD 4.42Å; L89-M93 HydrophobicContact CD1-CG 3.93Å; L89-M93 WeakPolarHBondContact O-CB 3.39Å; L89-M93 VanDerWaalsContact O-CG 3.24Å; L89-M93 WeakPolarHBondContact O-CG 3.48Å; L89-M93 PolarHBondContact O-N 3.36Å; T90-M93 PolarHBondContact O-N 2.92Å; M93-I98 HydrophobicContact CE-CD1 4.45Å; M93-I98 HydrophobicContact CE-CG2 3.97Å
94	S	98	Very high	97.3	Very high	18 Å²	18	34.1 Å²	34.1	13%	0.126	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-7.2	173.4	61.2	0	0	0	0	114.3	Q67 L68 C73 T90 A91 F92 G96	Q67-S94 PolarHBondContact NE2-O 3.26Å; L68-S94 WeakPolarHBondContact O-CA 3.41Å; L68-S94 WeakPolarHBondContact O-CB 2.98Å; C73-S94 PolarHBondContact SG-N 3.31Å; T90-S94 PolarHBondContact O-N 3.39Å; T90-S94 PolarHBondContact O-OG 2.76Å; A91-S94 PolarHBondContact O-OG 3.09Å; A91-S94 VanDerWaalsContact O-OG 3.11Å; F92-S94 PolarHBondContact O-N 2.94Å; S94-G96 PolarHBondContact O-N 2.92Å
95	S	98.3	Very high	97.1	Very high	80 Å²	80	28.5 Å²	28.5	56%	0.559	17%	0.172	S	C	*	.	S	Bend	trans	-71	-14	-172.6	68.9	0	0	0	0	114.7	A91 F92	A91-S95 PolarHBondContact O-N 2.87Å; F92-S95 VanDerWaalsContact O-CB 3.3Å; F92-S95 WeakPolarHBondContact O-CB 3.07Å; F92-S95 PolarHBondContact O-N 3.49Å; F92-S95 PolarHBondContact O-OG 3.14Å
96	G	97.6	Very high	96.8	Very high	9 Å²	9	29.4 Å²	29.4	9%	0.093	18%	0.182	C	C	.	.	S	Bend	trans	-171.7	-176.8	-178.1	0	0	0	0	0	112.9	S94	S94-G96 PolarHBondContact O-N 2.92Å
97	P	98.2	Very high	96.6	Very high	45 Å²	45	33.6 Å²	33.6	29%	0.292	20%	0.202	S	C	.	.			trans	-66.6	149.8	179.3	28	-34.1	0	0	0	111.7	P40 I43 K65 L66	P40-P97 WeakPolarHBondContact CA-O 3.39Å; I43-P97 HydrophobicContact CG1-CG 4.43Å; I43-P97 WeakPolarHBondContact CG1-O 3.19Å; K65-P97 HydrophobicContact CG-CB 4.48Å; L66-P97 CarbonylContact O-C 3.02Å; L66-P97 WeakPolarHBondContact O-CA 3.2Å
98	I	98.6	Very high	96.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	160.9	169.9	63.8	170.9	0	0	0	109.4	L37 I38 P40 K65 L66 L68 M93 M161	L37-I98 HydrophobicContact CD1-CD1 4.48Å; L37-I98 HydrophobicContact CD2-CD1 4.41Å; I38-I98 WeakPolarHBondContact O-CA 3.47Å; I38-I98 WeakPolarHBondContact O-CB 3.31Å; P40-I98 HydrophobicContact CG-CG2 3.81Å; K65-I98 WeakPolarHBondContact CA-O 3Å; L66-I98 HydrophobicContact CD2-CD1 4.13Å; L66-I98 HydrophobicContact CD2-CG1 3.77Å; L66-I98 HydrophobicContact CG-CD1 4.28Å; L66-I98 HydrophobicContact CG-CG1 3.96Å; L66-I98 PolarHBondContact N-O 3.23Å; L66-I98 WeakPolarHBondContact O-CG1 3.05Å; L66-I98 PolarHBondContact O-N 3.23Å; L68-I98 HydrophobicContact CD1-CD1 3.9Å; L68-I98 HydrophobicContact CG-CD1 4.12Å; M93-I98 HydrophobicContact CE-CD1 4.45Å; M93-I98 HydrophobicContact CE-CG2 3.97Å; I98-M161 HydrophobicContact CD1-CE 4.28Å; I98-M161 HydrophobicContact CD1-SD 4.48Å
99	I	98.7	Very high	96.6	Very high	9 Å²	9	27.2 Å²	27.2	5%	0.046	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.2	167.4	-66.5	164.2	0	0	0	108	L37 I38 I43 A46 K63 R64 K65 L101	L37-I99 CarbonylContact C-O 3.56Å; L37-I99 WeakPolarHBondContact CA-O 3.34Å; I38-I99 HydrophobicContact CB-CB 4.2Å; I38-I99 HydrophobicContact CD1-CB 4.42Å; I38-I99 HydrophobicContact CD1-CG2 4.47Å; I38-I99 PolarHBondContact N-O 3.48Å; I38-I99 PolarHBondContact O-N 2.99Å; I43-I99 HydrophobicContact CD1-CB 4.48Å; I43-I99 HydrophobicContact CD1-CD1 3.69Å; I43-I99 HydrophobicContact CD1-CG1 3.66Å; A46-I99 HydrophobicContact CB-CD1 3.45Å; A46-I99 VanDerWaalsContact CB-CD1 3.45Å; K63-I99 HydrophobicContact CG-CG2 4.18Å; R64-I99 WeakPolarHBondContact O-CA 3.46Å; K65-I99 HydrophobicContact CB-CG1 4.19Å; K65-I99 HydrophobicContact CD-CG1 4.49Å; K65-I99 HydrophobicContact CG-CG1 4.08Å; I99-L101 HydrophobicContact CG2-CD2 3.85Å; I99-L101 HydrophobicContact CG2-CG 4.1Å
100	A	98.4	Very high	96.6	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	135.5	171.1	0	0	0	0	0	110.1	L35 L37 K63 R64 L66 M161 F162	L35-A100 HydrophobicContact CD1-CB 4.4Å; L37-A100 HydrophobicContact CD2-CB 3.53Å; K63-A100 CarbonylContact C-O 3.58Å; K63-A100 WeakPolarHBondContact CA-O 3.41Å; R64-A100 PolarHBondContact N-O 2.91Å; R64-A100 PolarHBondContact O-N 2.92Å; L66-A100 HydrophobicContact CD2-CB 3.95Å; A100-M161 HydrophobicContact CB-CB 4.03Å; A100-M161 HydrophobicContact CB-CG 4.08Å; A100-M161 HydrophobicContact CB-SD 4.12Å; A100-F162 HydrophobicContact CB-CE2 4.19Å; A100-F162 HydrophobicContact CB-CZ 3.97Å
101	L	98.4	Very high	96.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	126.1	177.5	-55.1	172.1	0	0	0	109.2	A36 I38 E50 I53 I60 Q62 K63 I99 L103	A36-L101 HydrophobicContact CB-CB 4.24Å; A36-L101 PolarHBondContact N-O 3.14Å; A36-L101 PolarHBondContact O-N 2.86Å; I38-L101 HydrophobicContact CD1-CD1 4.41Å; E50-L101 HydrophobicContact CG-CD1 4.1Å; I53-L101 HydrophobicContact CD1-CD1 3.61Å; I60-L101 HydrophobicContact CG2-CD2 4.06Å; Q62-L101 WeakPolarHBondContact O-CA 3.23Å; K63-L101 HydrophobicContact CB-CD2 3.65Å; K63-L101 HydrophobicContact CD-CD2 3.92Å; K63-L101 HydrophobicContact CG-CD2 3.56Å; I99-L101 HydrophobicContact CG2-CD2 3.85Å; I99-L101 HydrophobicContact CG2-CG 4.1Å; L101-L103 HydrophobicContact CB-CD2 3.78Å; L101-L103 HydrophobicContact CB-CG 4.29Å; L101-L103 HydrophobicContact CD1-CD2 4.42Å
102	A	97.3	Very high	96.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	111.6	165.1	0	0	0	0	0	108	L61 Q62 I158 F162 I167	L61-A102 HydrophobicContact CB-CB 4.38Å; L61-A102 WeakPolarHBondContact CB-O 3.22Å; L61-A102 PolarHBondContact N-O 2.72Å; Q62-A102 HydrophobicContact CB-CB 4.14Å; Q62-A102 PolarHBondContact O-N 2.93Å; A102-I158 HydrophobicContact CB-CG2 4.39Å; A102-F162 HydrophobicContact CB-CD2 4.27Å; A102-F162 HydrophobicContact CB-CE2 3.9Å; A102-F162 HydrophobicContact CB-CZ 4.41Å; A102-I167 HydrophobicContact CB-CD1 4.16Å
103	L	97.4	Very high	96.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	146.8	-176.4	-54.6	-175.9	0	0	0	110.6	R33 T34 A36 I53 F58 T59 I60 L101 W112	R33-L103 CarbonylContact C-O 3.56Å; R33-L103 WeakPolarHBondContact CA-O 3.19Å; T34-L103 HydrophobicContact CG2-CB 3.95Å; T34-L103 HydrophobicContact CG2-CD1 4.41Å; T34-L103 PolarHBondContact N-O 3.32Å; T34-L103 PolarHBondContact O-N 2.88Å; A36-L103 HydrophobicContact CB-CD1 3.54Å; A36-L103 HydrophobicContact CB-CG 3.98Å; I53-L103 HydrophobicContact CD1-CD1 4.42Å; I53-L103 HydrophobicContact CG2-CD1 3.95Å; I53-L103 HydrophobicContact CG2-CD2 3.75Å; F58-L103 HydrophobicContact CD1-CB 3.71Å; F58-L103 HydrophobicContact CD1-CD1 4.11Å; F58-L103 HydrophobicContact CE1-CB 4.28Å; F58-L103 HydrophobicContact CE1-CD1 4.43Å; F58-L103 HydrophobicContact CG-CB 4.43Å; F58-L103 HydrophobicContact CG-CD1 4.31Å; T59-L103 CarbonylContact O-C 3.58Å; T59-L103 WeakPolarHBondContact O-CA 3.44Å; I60-L103 HydrophobicContact CB-CD2 4.43Å; I60-L103 HydrophobicContact CG1-CD2 3.8Å; L101-L103 HydrophobicContact CB-CD2 3.78Å; L101-L103 HydrophobicContact CB-CG 4.29Å; L101-L103 HydrophobicContact CD1-CD2 4.42Å; L103-W112 HydrophobicContact CD1-CD2 4.26Å; L103-W112 HydrophobicContact CD1-CE3 4.25Å
104	A	93.3	Very high	96.6	Very high	7 Å²	7	36.1 Å²	36.1	6%	0.058	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	137.4	174.2	0	0	0	0	0	112	V31 E32 R33 T59 L61	V31-A104 HydrophobicContact CG1-CB 3.98Å; E32-A104 WeakPolarHBondContact O-CA 3.39Å; R33-A104 HydrophobicContact CG-CB 4.38Å; T59-A104 PolarHBondContact N-O 3.41Å; T59-A104 PolarHBondContact O-N 3.33Å; L61-A104 HydrophobicContact CD1-CB 3.73Å; L61-A104 HydrophobicContact CD2-CB 3.92Å; L61-A104 HydrophobicContact CG-CB 3.72Å
105	R	91.7	Very high	96.6	Very high	60 Å²	60	36.6 Å²	36.6	23%	0.226	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	161.5	177.3	-166.3	-161.6	171.9	132.4	9.3	109.5	V31 E32 S56 F58 A108 H111	V31-R105 VanDerWaalsContact CG1-C 3.48Å; E32-R105 PolarHBondContact N-O 3.02Å; E32-R105 PolarHBondContact O-N 2.84Å; E32-R105 VanDerWaalsContact O-N 3.09Å; S56-R105 VanDerWaalsContact O-CZ 3.29Å; S56-R105 PolarHBondContact O-NH1 2.85Å; S56-R105 PolarHBondContact O-NH2 3.39Å; F58-R105 HydrophobicContact CD1-CB 3.67Å; F58-R105 HydrophobicContact CD1-CG 4.46Å; F58-R105 HydrophobicContact CE1-CB 3.74Å; F58-R105 HydrophobicContact CE1-CG 4.48Å; F58-R105 HydrophobicContact CG-CB 4.4Å; F58-R105 HydrophobicContact CZ-CB 4.46Å; R105-A108 HydrophobicContact CB-CB 3.92Å; R105-A108 WeakPolarHBondContact O-CB 3.44Å; R105-H111 VanDerWaalsContact CZ-CE1 3.45Å; R105-H111 VanDerWaalsContact CZ-ND1 3.33Å; R105-H111 PolarHBondContact NE-CD2 3.22Å; R105-H111 PolarHBondContact NH1-ND1 3.47Å; R105-H111 PolarHBondContact NH2-CE1 3.34Å; R105-H111 PolarHBondContact NH2-NE2 2.94Å
106	D	87.1	Confident	96.6	Very high	121 Å²	121	33 Å²	33	65%	0.647	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	135.7	155.7	-175.2	43.1	0	0	0	110.4	A108	D106-A108 PolarHBondContact O-N 2.94Å
107	Q	92	Very high	96.6	Very high	108 Å²	108	33.1 Å²	33.1	51%	0.505	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	38.6	-175.6	-61	-172.5	-4.4	0	0	113.6	E32 I109 A110 H111	E32-Q107 WeakPolarHBondContact OE2-CA 3.27Å; Q107-I109 VanDerWaalsContact C-N 3.35Å; Q107-I109 PolarHBondContact O-N 3.12Å; Q107-A110 PolarHBondContact O-N 3.22Å; Q107-H111 WeakPolarHBondContact O-CB 3.47Å; Q107-H111 PolarHBondContact O-CD2 3.4Å; Q107-H111 PolarHBondContact O-N 2.96Å
108	A	96.6	Very high	96.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-54	-44.4	-171.7	0	0	0	0	0	113.7	E32 T34 F58 R105 D106 W112	E32-A108 HydrophobicContact CB-CB 4.09Å; E32-A108 HydrophobicContact CG-CB 4Å; E32-A108 WeakPolarHBondContact O-CB 3.43Å; E32-A108 PolarHBondContact OE2-N 2.69Å; T34-A108 HydrophobicContact CG2-CB 4.14Å; F58-A108 HydrophobicContact CE1-CB 3.9Å; F58-A108 WeakPolarHBondContact CZ-O 3.24Å; R105-A108 HydrophobicContact CB-CB 3.92Å; R105-A108 WeakPolarHBondContact O-CB 3.44Å; D106-A108 PolarHBondContact O-N 2.94Å; A108-W112 VanDerWaalsContact O-CB 3.24Å; A108-W112 WeakPolarHBondContact O-CB 3.5Å; A108-W112 PolarHBondContact O-N 2.81Å
109	I	97.6	Very high	96.4	Very high	11 Å²	11	36.4 Å²	36.4	6%	0.056	20%	0.199	C	C	.	.	H	α-helix	trans	-66.1	-49.8	-178.2	-65.6	178	0	0	0	110.1	E32 Q107 H111 W112 K113 S148 S150 F151 A154	E32-I109 HydrophobicContact CG-CG1 4.34Å; E32-I109 WeakPolarHBondContact OE1-CB 3.21Å; E32-I109 WeakPolarHBondContact OE1-CD1 3.36Å; E32-I109 WeakPolarHBondContact OE1-CG1 3.38Å; Q107-I109 VanDerWaalsContact C-N 3.35Å; Q107-I109 PolarHBondContact O-N 3.12Å; I109-H111 PolarHBondContact O-N 3.46Å; I109-W112 PolarHBondContact O-N 2.89Å; I109-K113 HydrophobicContact CG2-CD 4.05Å; I109-K113 WeakPolarHBondContact O-CB 3.36Å; I109-K113 VanDerWaalsContact O-CG 3.31Å; I109-K113 WeakPolarHBondContact O-CG 3.43Å; I109-K113 PolarHBondContact O-N 2.9Å; I109-S148 WeakPolarHBondContact CG2-O 3.49Å; I109-S150 WeakPolarHBondContact CD1-O 3.49Å; I109-F151 HydrophobicContact CD1-CD1 4.43Å; I109-F151 HydrophobicContact CD1-CG 4.28Å; I109-A154 HydrophobicContact CD1-CB 3.89Å; I109-A154 HydrophobicContact CG1-CB 4.48Å
110	A	97.4	Very high	96.3	Very high	51 Å²	51	38.8 Å²	38.8	42%	0.421	21%	0.212	S	C	.	.	H	α-helix	trans	-61.2	-47.6	179.8	0	0	0	0	0	111.2	Q107 W112 K113 T114	Q107-A110 PolarHBondContact O-N 3.22Å; A110-W112 PolarHBondContact O-N 2.71Å; A110-K113 PolarHBondContact O-N 2.89Å; A110-T114 PolarHBondContact O-N 3.09Å; A110-T114 PolarHBondContact O-OG1 3.48Å
111	H	98.1	Very high	96.2	Very high	57 Å²	57	38.8 Å²	38.8	26%	0.264	21%	0.212	S	C	.	.	H	α-helix	trans	-61.8	-42	177.7	-91.3	-71.7	0	0	0	112.8	F58 R105 Q107 I109 K113 T114 I115	F58-H111 HydrophobicContact CE2-CB 4.14Å; F58-H111 HydrophobicContact CZ-CB 3.69Å; R105-H111 VanDerWaalsContact CZ-CE1 3.45Å; R105-H111 VanDerWaalsContact CZ-ND1 3.33Å; R105-H111 PolarHBondContact NE-CD2 3.22Å; R105-H111 PolarHBondContact NH1-ND1 3.47Å; R105-H111 PolarHBondContact NH2-CE1 3.34Å; R105-H111 PolarHBondContact NH2-NE2 2.94Å; Q107-H111 WeakPolarHBondContact O-CB 3.47Å; Q107-H111 PolarHBondContact O-CD2 3.4Å; Q107-H111 PolarHBondContact O-N 2.96Å; I109-H111 PolarHBondContact O-N 3.46Å; H111-K113 VanDerWaalsContact C-N 3.33Å; H111-T114 WeakPolarHBondContact O-CB 3.11Å; H111-T114 PolarHBondContact O-N 3.01Å; H111-I115 WeakPolarHBondContact O-CD1 3.34Å; H111-I115 WeakPolarHBondContact O-CG1 3.42Å; H111-I115 PolarHBondContact O-N 2.69Å; H111-I115 VanDerWaalsContact O-N 3.08Å
112	W	98.6	Very high	96.1	Very high	1 Å²	1	42 Å²	42	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-64.4	-42.7	178.6	-178.2	-129.7	0	0	0	110.5	T34 A36 I53 F58 L103 A108 I109 A110 T114 I115 I116 L132 V145 H146 G147	T34-W112 HydrophobicContact CG2-CB 3.94Å; T34-W112 HydrophobicContact CG2-CG 4.21Å; A36-W112 HydrophobicContact CB-CD2 4.32Å; A36-W112 VanDerWaalsContact CB-CE2 3.49Å; A36-W112 HydrophobicContact CB-CH2 4.21Å; A36-W112 HydrophobicContact CB-CZ2 3.43Å; A36-W112 VanDerWaalsContact CB-CZ2 3.43Å; I53-W112 HydrophobicContact CD1-CH2 3.84Å; I53-W112 HydrophobicContact CD1-CZ3 4.02Å; I53-W112 HydrophobicContact CG1-CE3 4.5Å; I53-W112 HydrophobicContact CG1-CH2 3.91Å; I53-W112 HydrophobicContact CG1-CZ3 3.57Å; F58-W112 HydrophobicContact CE1-CB 4.43Å; F58-W112 HydrophobicContact CZ-CB 3.94Å; L103-W112 HydrophobicContact CD1-CD2 4.26Å; L103-W112 HydrophobicContact CD1-CE3 4.25Å; A108-W112 VanDerWaalsContact O-CB 3.24Å; A108-W112 WeakPolarHBondContact O-CB 3.5Å; A108-W112 PolarHBondContact O-N 2.81Å; I109-W112 PolarHBondContact O-N 2.89Å; A110-W112 PolarHBondContact O-N 2.71Å; W112-T114 VanDerWaalsContact C-N 3.31Å; W112-T114 PolarHBondContact O-N 2.96Å; W112-I115 HydrophobicContact CE3-CB 4.3Å; W112-I115 HydrophobicContact CE3-CG2 4.35Å; W112-I115 HydrophobicContact CZ3-CB 4.48Å; W112-I115 HydrophobicContact CZ3-CG2 4.05Å; W112-I115 PolarHBondContact O-N 2.95Å; W112-I115 VanDerWaalsContact O-N 3.13Å; W112-I116 HydrophobicContact CD2-CG2 3.63Å; W112-I116 HydrophobicContact CE3-CG2 3.9Å; W112-I116 HydrophobicContact CG-CG2 4.35Å; W112-I116 HydrophobicContact CH2-CG2 3.55Å; W112-I116 HydrophobicContact CZ2-CG2 3.26Å; W112-I116 HydrophobicContact CZ3-CG2 3.85Å; W112-I116 WeakPolarHBondContact O-CG1 3.49Å; W112-I116 WeakPolarHBondContact O-CG2 3.33Å; W112-I116 PolarHBondContact O-N 3.28Å; W112-L132 HydrophobicContact CH2-CD1 3.48Å; W112-L132 VanDerWaalsContact CH2-CD1 3.48Å; W112-L132 HydrophobicContact CZ3-CD1 3.71Å; W112-V145 HydrophobicContact CZ2-CB 4.33Å; W112-H146 PolarHBondContact NE1-O 3.29Å; W112-H146 VanDerWaalsContact NE1-O 3.11Å; W112-G147 VanDerWaalsContact CD1-CA 3.46Å; W112-G147 VanDerWaalsContact NE1-CA 3.29Å
113	K	98.1	Very high	96.1	Very high	84 Å²	84	47.8 Å²	47.8	37%	0.365	26%	0.257	S	S	.	.	H	α-helix	trans	-58.9	-39.4	174.5	-73.1	178.1	69.8	147.7	0	112.7	I109 A110 H111 G117 D149	I109-K113 HydrophobicContact CG2-CD 4.05Å; I109-K113 WeakPolarHBondContact O-CB 3.36Å; I109-K113 VanDerWaalsContact O-CG 3.31Å; I109-K113 WeakPolarHBondContact O-CG 3.43Å; I109-K113 PolarHBondContact O-N 2.9Å; A110-K113 PolarHBondContact O-N 2.89Å; H111-K113 VanDerWaalsContact C-N 3.33Å; K113-G117 PolarHBondContact O-N 3.34Å; K113-D149 IonicContact NZ-OD1 3.17Å; K113-D149 PolarHBondContact NZ-OD1 3.11Å
114	T	97.8	Very high	96.1	Very high	97 Å²	97	47.8 Å²	47.8	60%	0.595	26%	0.257	S	S	*	.	H	α-helix	trans	-62.9	-43.8	174.4	-59.8	0	0	0	0	112.1	A110 H111 W112	A110-T114 PolarHBondContact O-N 3.09Å; A110-T114 PolarHBondContact O-OG1 3.48Å; H111-T114 WeakPolarHBondContact O-CB 3.11Å; H111-T114 PolarHBondContact O-N 3.01Å; W112-T114 VanDerWaalsContact C-N 3.31Å; W112-T114 PolarHBondContact O-N 2.96Å
115	I	97.9	Very high	96.3	Very high	29 Å²	29	52.5 Å²	52.5	15%	0.149	27%	0.273	C	S	.	.	H	α-helix	trans	-72.1	-38.9	-177.3	-66.8	158.7	0	0	0	112	I52 S56 F58 H111 W112 C131 L132	I52-I115 HydrophobicContact CG2-CG2 4.32Å; S56-I115 VanDerWaalsContact CB-CD1 3.47Å; F58-I115 HydrophobicContact CD2-CD1 4.3Å; F58-I115 HydrophobicContact CE2-CD1 3.57Å; H111-I115 WeakPolarHBondContact O-CD1 3.34Å; H111-I115 WeakPolarHBondContact O-CG1 3.42Å; H111-I115 PolarHBondContact O-N 2.69Å; H111-I115 VanDerWaalsContact O-N 3.08Å; W112-I115 HydrophobicContact CE3-CB 4.3Å; W112-I115 HydrophobicContact CE3-CG2 4.35Å; W112-I115 HydrophobicContact CZ3-CB 4.48Å; W112-I115 HydrophobicContact CZ3-CG2 4.05Å; W112-I115 PolarHBondContact O-N 2.95Å; W112-I115 VanDerWaalsContact O-N 3.13Å; I115-C131 WeakPolarHBondContact O-CA 3.2Å; I115-C131 VanDerWaalsContact O-CB 3.29Å; I115-C131 WeakPolarHBondContact O-CB 3.27Å; I115-L132 HydrophobicContact CG2-CD1 3.85Å; I115-L132 HydrophobicContact CG2-CG 3.91Å; I115-L132 PolarHBondContact O-N 3.37Å
116	I	98.3	Very high	96.6	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-75.8	-29.7	178.6	69.3	-173.9	0	0	0	112.4	W112 L132 R133 V145	W112-I116 HydrophobicContact CD2-CG2 3.63Å; W112-I116 HydrophobicContact CE3-CG2 3.9Å; W112-I116 HydrophobicContact CG-CG2 4.35Å; W112-I116 HydrophobicContact CH2-CG2 3.55Å; W112-I116 HydrophobicContact CZ2-CG2 3.26Å; W112-I116 HydrophobicContact CZ3-CG2 3.85Å; W112-I116 WeakPolarHBondContact O-CG1 3.49Å; W112-I116 WeakPolarHBondContact O-CG2 3.33Å; W112-I116 PolarHBondContact O-N 3.28Å; I116-L132 HydrophobicContact CG2-CD1 4.23Å; I116-R133 WeakPolarHBondContact O-CB 3.42Å; I116-R133 WeakPolarHBondContact O-CD 3.47Å; I116-R133 WeakPolarHBondContact O-CG 3.31Å; I116-R133 PolarHBondContact O-N 3.37Å; I116-V145 HydrophobicContact CB-CG2 3.74Å; I116-V145 HydrophobicContact CG2-CB 4.3Å; I116-V145 HydrophobicContact CG2-CG2 3.59Å
117	G	97.9	Very high	97	Very high	11 Å²	11	54.1 Å²	54.1	11%	0.113	28%	0.284	C	S	.	.			trans	72.9	-172.8	178.9	0	0	0	0	0	114.9	K113 R133	K113-G117 PolarHBondContact O-N 3.34Å; G117-R133 PolarHBondContact O-NH1 3.15Å
118	P	97.1	Very high	97.3	Very high	30 Å²	30	53.5 Å²	53.5	20%	0.195	28%	0.281	C	S	.	.			trans	-58.3	144.6	-176.6	-23.4	33	0	0	0	113.5	N120 K123 A124 R133	P118-N120 VanDerWaalsContact C-N 3.26Å; P118-N120 PolarHBondContact O-N 2.87Å; P118-K123 HydrophobicContact CB-CD 4.38Å; P118-K123 HydrophobicContact CB-CG 4.3Å; P118-K123 HydrophobicContact CG-CG 4.37Å; P118-A124 HydrophobicContact CB-CB 4.42Å; P118-A124 HydrophobicContact CG-CB 4.43Å; P118-R133 WeakPolarHBondContact O-CD 3.42Å
119	V	95.4	Very high	97.3	Very high	85 Å²	85	57.1 Å²	57.1	52%	0.515	30%	0.304	S	S	.	.	S	Bend	trans	-58.1	-38.5	179.1	173.5	0	0	0	0	112.3	C121 N143	V119-C121 PolarHBondContact O-N 2.91Å; V119-N143 PolarHBondContact O-ND2 3.22Å
120	N	96.6	Very high	97.2	Very high	58 Å²	58	63.1 Å²	63.1	31%	0.31	33%	0.332	S	S	.	.	S	Bend	trans	-78.8	118.1	177.2	178.7	-74.2	0	0	0	110.4	P118 T122 K123 A124 D140	P118-N120 VanDerWaalsContact C-N 3.26Å; P118-N120 PolarHBondContact O-N 2.87Å; N120-T122 VanDerWaalsContact C-N 3.31Å; N120-T122 PolarHBondContact O-N 3.46Å; N120-T122 WeakPolarHBondContact OD1-CB 3.49Å; N120-T122 PolarHBondContact OD1-N 3.36Å; N120-T122 VanDerWaalsContact OD1-N 3.09Å; N120-K123 HydrophobicContact CB-CB 4.2Å; N120-K123 PolarHBondContact O-N 3.5Å; N120-K123 PolarHBondContact OD1-N 2.89Å; N120-A124 WeakPolarHBondContact O-CB 3.26Å; N120-A124 PolarHBondContact O-N 2.82Å; N120-D140 VanDerWaalsContact CA-OD1 3.27Å; N120-D140 WeakPolarHBondContact CA-OD1 3.45Å; N120-D140 VanDerWaalsContact CG-OD1 3.31Å; N120-D140 VanDerWaalsContact ND2-CG 3.32Å; N120-D140 PolarHBondContact ND2-OD1 3.03Å; N120-D140 PolarHBondContact ND2-OD2 2.71Å
121	C	95	Very high	97.3	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.007	32%	0.315	C	S	.	.	H	α-helix	trans	-67.5	-30	-172.3	-65.5	0	0	0	0	112.9	V119 A124 R125 S139 D140 N143	V119-C121 PolarHBondContact O-N 2.91Å; C121-A124 PolarHBondContact O-N 2.83Å; C121-R125 WeakPolarHBondContact O-CG 3.42Å; C121-R125 PolarHBondContact O-N 3.07Å; C121-R125 PolarHBondContact O-NE 3.49Å; C121-S139 PolarHBondContact SG-O 2.93Å; C121-D140 PolarHBondContact N-OD1 2.96Å; C121-N143 WeakPolarHBondContact SG-CB 3.4Å
122	T	96.4	Very high	97.3	Very high	68 Å²	68	58.5 Å²	58.5	42%	0.417	30%	0.303	S	S	.	.	H	α-helix	trans	-67.5	-50.4	175.4	-61.3	0	0	0	0	110.4	N120 A124 R125 E126	N120-T122 VanDerWaalsContact C-N 3.31Å; N120-T122 PolarHBondContact O-N 3.46Å; N120-T122 WeakPolarHBondContact OD1-CB 3.49Å; N120-T122 PolarHBondContact OD1-N 3.36Å; N120-T122 VanDerWaalsContact OD1-N 3.09Å; T122-A124 PolarHBondContact O-N 3.2Å; T122-R125 PolarHBondContact O-N 3.38Å; T122-R125 VanDerWaalsContact O-N 3.14Å; T122-R125 PolarHBondContact OG1-NH2 3.35Å; T122-E126 WeakPolarHBondContact O-CG 3.46Å; T122-E126 PolarHBondContact O-N 3.14Å
123	K	97.3	Very high	97.3	Very high	120 Å²	120	59.4 Å²	59.4	52%	0.522	31%	0.307	S	S	.	.	H	α-helix	trans	-59.3	-38.2	173.8	-175.5	174.5	-178.6	175.6	0	111.7	P118 N120 E126 T127	P118-K123 HydrophobicContact CB-CD 4.38Å; P118-K123 HydrophobicContact CB-CG 4.3Å; P118-K123 HydrophobicContact CG-CG 4.37Å; N120-K123 HydrophobicContact CB-CB 4.2Å; N120-K123 PolarHBondContact O-N 3.5Å; N120-K123 PolarHBondContact OD1-N 2.89Å; K123-E126 PolarHBondContact O-N 3.31Å; K123-T127 HydrophobicContact CG-CG2 4.23Å; K123-T127 WeakPolarHBondContact O-CB 3.42Å; K123-T127 PolarHBondContact O-N 3.5Å; K123-T127 PolarHBondContact O-OG1 3.41Å
124	A	97.4	Very high	97.3	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.1	-48.5	175.7	0	0	0	0	0	111.4	P118 N120 C121 T122 E126 T127 H128 R133 A134	P118-A124 HydrophobicContact CB-CB 4.42Å; P118-A124 HydrophobicContact CG-CB 4.43Å; N120-A124 WeakPolarHBondContact O-CB 3.26Å; N120-A124 PolarHBondContact O-N 2.82Å; C121-A124 PolarHBondContact O-N 2.83Å; T122-A124 PolarHBondContact O-N 3.2Å; A124-E126 VanDerWaalsContact C-N 3.32Å; A124-E126 PolarHBondContact O-N 3.2Å; A124-T127 PolarHBondContact O-N 3.33Å; A124-H128 CarbonylContact O-C 3.01Å; A124-H128 WeakPolarHBondContact O-CA 3.37Å; A124-H128 PolarHBondContact O-N 3.29Å; A124-H128 VanDerWaalsContact O-O 3.09Å; A124-R133 HydrophobicContact CB-CB 4.11Å; A124-A134 HydrophobicContact CB-CB 4.19Å
125	R	97.7	Very high	97.3	Very high	106 Å²	106	56 Å²	56	40%	0.4	29%	0.286	S	S	.	.	H	α-helix	trans	-60.6	-38.5	175.9	-75.2	-178.1	-73.1	-96.7	2.4	113.1	C121 T122 A134 G137	C121-R125 WeakPolarHBondContact O-CG 3.42Å; C121-R125 PolarHBondContact O-N 3.07Å; C121-R125 PolarHBondContact O-NE 3.49Å; T122-R125 PolarHBondContact O-N 3.38Å; T122-R125 VanDerWaalsContact O-N 3.14Å; T122-R125 PolarHBondContact OG1-NH2 3.35Å; R125-A134 HydrophobicContact CG-CB 3.93Å; R125-G137 PolarHBondContact NH1-O 3.36Å; R125-G137 VanDerWaalsContact NH1-O 3.09Å
126	E	97.4	Very high	97.3	Very high	145 Å²	145	56.3 Å²	56.3	68%	0.678	29%	0.285	S	S	*	.	H	α-helix	trans	-72.9	-40.6	-179.2	-70.7	168.9	177.5	0	0	113.1	T122 K123 A124	T122-E126 WeakPolarHBondContact O-CG 3.46Å; T122-E126 PolarHBondContact O-N 3.14Å; K123-E126 PolarHBondContact O-N 3.31Å; A124-E126 VanDerWaalsContact C-N 3.32Å; A124-E126 PolarHBondContact O-N 3.2Å
127	T	97.3	Very high	97.3	Very high	70 Å²	70	56.4 Å²	56.4	43%	0.429	29%	0.287	S	S	.	.	H	α-helix	trans	-103.9	-29.2	-168.8	58.8	0	0	0	0	113.8	K123 A124	K123-T127 HydrophobicContact CG-CG2 4.23Å; K123-T127 WeakPolarHBondContact O-CB 3.42Å; K123-T127 PolarHBondContact O-N 3.5Å; K123-T127 PolarHBondContact O-OG1 3.41Å; A124-T127 PolarHBondContact O-N 3.33Å
128	H	96.8	Very high	97.1	Very high	96 Å²	96	60.5 Å²	60.5	44%	0.444	31%	0.31	S	S	.	.			trans	-142.6	63.6	-175.3	-57.4	81	0	0	0	109.6	A124 E130 C131	A124-H128 CarbonylContact O-C 3.01Å; A124-H128 WeakPolarHBondContact O-CA 3.37Å; A124-H128 PolarHBondContact O-N 3.29Å; A124-H128 VanDerWaalsContact O-O 3.09Å; H128-E130 PolarHBondContact O-N 2.83Å; H128-C131 HydrophobicContact CB-CB 4.02Å; H128-C131 WeakPolarHBondContact O-CB 3.45Å; H128-C131 PolarHBondContact O-N 3.04Å; H128-C131 PolarHBondContact O-SG 3.18Å
129	P	96.6	Very high	97.1	Very high	75 Å²	75	61.3 Å²	61.3	49%	0.487	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-23.9	-172.2	22.3	-34.1	0	0	0	113.7	A134	P129-A134 WeakPolarHBondContact O-CB 3.49Å
130	E	96.9	Very high	96.8	Very high	138 Å²	138	61.1 Å²	61.1	65%	0.645	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-10.2	179.4	-63.9	-52.6	129.3	0	0	115	H128 K135	H128-E130 PolarHBondContact O-N 2.83Å; E130-K135 VanDerWaalsContact O-CE 3.26Å; E130-K135 WeakPolarHBondContact O-CE 3.25Å; E130-K135 PolarHBondContact O-NZ 3.44Å; E130-K135 VanDerWaalsContact OE2-CE 3.25Å; E130-K135 WeakPolarHBondContact OE2-CE 3.26Å; E130-K135 IonicContact OE2-NZ 2.9Å; E130-K135 PolarHBondContact OE2-NZ 2.99Å
131	C	98.4	Very high	96.7	Very high	9 Å²	9	60.8 Å²	60.8	6%	0.061	31%	0.31	C	S	.	.	S	Bend	trans	-72.8	158.3	-177.6	79.1	0	0	0	0	112.5	I115 H128 R133 A134 K135	I115-C131 WeakPolarHBondContact O-CA 3.2Å; I115-C131 VanDerWaalsContact O-CB 3.29Å; I115-C131 WeakPolarHBondContact O-CB 3.27Å; H128-C131 HydrophobicContact CB-CB 4.02Å; H128-C131 WeakPolarHBondContact O-CB 3.45Å; H128-C131 PolarHBondContact O-N 3.04Å; H128-C131 PolarHBondContact O-SG 3.18Å; C131-R133 VanDerWaalsContact C-N 3.32Å; C131-R133 PolarHBondContact O-N 2.82Å; C131-A134 WeakPolarHBondContact O-CB 3.46Å; C131-A134 PolarHBondContact O-N 3.38Å; C131-A134 VanDerWaalsContact O-N 3.09Å; C131-A134 PolarHBondContact SG-N 3.16Å; C131-A134 VanDerWaalsContact SG-N 3.44Å; C131-K135 PolarHBondContact O-N 2.82Å; C131-K135 VanDerWaalsContact O-N 3.12Å
132	L	98.4	Very high	96.8	Very high	2 Å²	2	67 Å²	67	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-61.4	-38	-175.4	-61.6	178.9	0	0	0	112.7	I49 I52 W112 I115 I116 A134 K135 Y136 V145	I49-L132 HydrophobicContact CG2-CD1 4.11Å; I52-L132 HydrophobicContact CB-CD2 4.37Å; I52-L132 HydrophobicContact CD1-CD2 3.67Å; I52-L132 HydrophobicContact CG2-CD2 4.01Å; W112-L132 HydrophobicContact CH2-CD1 3.48Å; W112-L132 VanDerWaalsContact CH2-CD1 3.48Å; W112-L132 HydrophobicContact CZ3-CD1 3.71Å; I115-L132 HydrophobicContact CG2-CD1 3.85Å; I115-L132 HydrophobicContact CG2-CG 3.91Å; I115-L132 PolarHBondContact O-N 3.37Å; I116-L132 HydrophobicContact CG2-CD1 4.23Å; L132-A134 VanDerWaalsContact C-N 3.31Å; L132-A134 PolarHBondContact O-N 3.5Å; L132-K135 PolarHBondContact O-N 3.27Å; L132-Y136 HydrophobicContact CB-CD2 4.22Å; L132-Y136 HydrophobicContact CD2-CD2 4.07Å; L132-Y136 HydrophobicContact CD2-CE2 3.58Å; L132-Y136 VanDerWaalsContact O-CD2 3.28Å; L132-Y136 WeakPolarHBondContact O-CD2 3.29Å; L132-Y136 PolarHBondContact O-N 3.13Å; L132-V145 HydrophobicContact CB-CG2 4.1Å; L132-V145 HydrophobicContact CD1-CG1 4.41Å
133	R	98.5	Very high	96.9	Very high	20 Å²	20	63.9 Å²	63.9	8%	0.075	31%	0.314	C	S	.	.	H	α-helix	trans	-68.1	-30	177.4	-72.9	177.2	174.9	156	-5.4	113.1	I116 G117 P118 A124 C131 G137 N143 V145	I116-R133 WeakPolarHBondContact O-CB 3.42Å; I116-R133 WeakPolarHBondContact O-CD 3.47Å; I116-R133 WeakPolarHBondContact O-CG 3.31Å; I116-R133 PolarHBondContact O-N 3.37Å; G117-R133 PolarHBondContact O-NH1 3.15Å; P118-R133 WeakPolarHBondContact O-CD 3.42Å; A124-R133 HydrophobicContact CB-CB 4.11Å; C131-R133 VanDerWaalsContact C-N 3.32Å; C131-R133 PolarHBondContact O-N 2.82Å; R133-G137 VanDerWaalsContact O-CA 3.24Å; R133-G137 WeakPolarHBondContact O-CA 3.34Å; R133-G137 PolarHBondContact O-N 3.08Å; R133-G137 VanDerWaalsContact O-N 3.09Å; R133-N143 HydrophobicContact CG-CB 4.16Å; R133-N143 WeakPolarHBondContact CG-O 3.47Å; R133-N143 PolarHBondContact NE-ND2 3.01Å; R133-V145 HydrophobicContact CG-CG2 4.07Å; R133-V145 PolarHBondContact NH2-O 3.31Å; R133-V145 VanDerWaalsContact NH2-O 3.08Å
134	A	98	Very high	97	Very high	11 Å²	11	58.1 Å²	58.1	9%	0.091	29%	0.289	C	S	.	.	H	α-helix	trans	-71.1	-40.7	174.4	0	0	0	0	0	111.6	A124 R125 P129 C131 L132	A124-A134 HydrophobicContact CB-CB 4.19Å; R125-A134 HydrophobicContact CG-CB 3.93Å; P129-A134 WeakPolarHBondContact O-CB 3.49Å; C131-A134 WeakPolarHBondContact O-CB 3.46Å; C131-A134 PolarHBondContact O-N 3.38Å; C131-A134 VanDerWaalsContact O-N 3.09Å; C131-A134 PolarHBondContact SG-N 3.16Å; C131-A134 VanDerWaalsContact SG-N 3.44Å; L132-A134 VanDerWaalsContact C-N 3.31Å; L132-A134 PolarHBondContact O-N 3.5Å
135	K	98	Very high	97	Very high	99 Å²	99	58.1 Å²	58.1	43%	0.43	29%	0.289	S	S	.	.	H	α-helix	trans	-75.3	-44.9	-177	-70.1	-178.7	174.5	170.6	0	113.7	E130 C131 L132	E130-K135 VanDerWaalsContact O-CE 3.26Å; E130-K135 WeakPolarHBondContact O-CE 3.25Å; E130-K135 PolarHBondContact O-NZ 3.44Å; E130-K135 VanDerWaalsContact OE2-CE 3.25Å; E130-K135 WeakPolarHBondContact OE2-CE 3.26Å; E130-K135 IonicContact OE2-NZ 2.9Å; E130-K135 PolarHBondContact OE2-NZ 2.99Å; C131-K135 PolarHBondContact O-N 2.82Å; C131-K135 VanDerWaalsContact O-N 3.12Å; L132-K135 PolarHBondContact O-N 3.27Å
136	Y	98.1	Very high	97.1	Very high	35 Å²	35	54.3 Å²	54.3	14%	0.137	28%	0.276	C	S	.	.	H	α-helix	trans	-114	-14.5	-169.2	-50.6	-68.9	0	0	0	113.4	Q45 E48 I49 I52 L132	Q45-Y136 HydrophobicContact CB-CD1 4.06Å; Q45-Y136 HydrophobicContact CB-CE1 4.13Å; Q45-Y136 HydrophobicContact CG-CD1 3.85Å; Q45-Y136 HydrophobicContact CG-CE1 4.04Å; E48-Y136 PolarHBondContact OE1-OH 2.84Å; I49-Y136 HydrophobicContact CD1-CD2 4.16Å; I49-Y136 HydrophobicContact CD1-CE2 4.48Å; I49-Y136 HydrophobicContact CD1-CG 4.42Å; I49-Y136 HydrophobicContact CG1-CD2 4.05Å; I49-Y136 HydrophobicContact CG1-CE2 3.88Å; I52-Y136 HydrophobicContact CD1-CE2 4.26Å; I52-Y136 WeakPolarHBondContact CD1-OH 3.23Å; L132-Y136 HydrophobicContact CB-CD2 4.22Å; L132-Y136 HydrophobicContact CD2-CD2 4.07Å; L132-Y136 HydrophobicContact CD2-CE2 3.58Å; L132-Y136 VanDerWaalsContact O-CD2 3.28Å; L132-Y136 WeakPolarHBondContact O-CD2 3.29Å; L132-Y136 PolarHBondContact O-N 3.13Å
137	G	97.3	Very high	97.1	Very high	5 Å²	5	47.6 Å²	47.6	5%	0.052	25%	0.246	C	C	.	.			trans	-81.6	132.9	-178.3	0	0	0	0	0	113.6	R125 R133 R142	R125-G137 PolarHBondContact NH1-O 3.36Å; R125-G137 VanDerWaalsContact NH1-O 3.09Å; R133-G137 VanDerWaalsContact O-CA 3.24Å; R133-G137 WeakPolarHBondContact O-CA 3.34Å; R133-G137 PolarHBondContact O-N 3.08Å; R133-G137 VanDerWaalsContact O-N 3.09Å; G137-R142 CarbonylContact C-O 3.54Å; G137-R142 WeakPolarHBondContact CA-O 3.38Å
138	T	95.4	Very high	97.1	Very high	98 Å²	98	44.3 Å²	44.3	60%	0.601	23%	0.226	S	C	*	.			trans	-102.6	-31.1	178.1	57.1	0	0	0	0	113	R142	T138-R142 PolarHBondContact N-O 3.27Å; T138-R142 VanDerWaalsContact OG1-CB 3.26Å; T138-R142 WeakPolarHBondContact OG1-CB 3.45Å; T138-R142 PolarHBondContact OG1-O 2.69Å
139	S	95.3	Very high	97	Very high	47 Å²	47	44.9 Å²	44.9	33%	0.329	23%	0.232	S	C	.	.	S	Bend	trans	-151.9	174.1	176.3	74.4	0	0	0	0	111.4	C121 L141 R142 N143	C121-S139 PolarHBondContact SG-O 2.93Å; S139-L141 PolarHBondContact O-N 2.97Å; S139-R142 PolarHBondContact N-O 2.87Å; S139-R142 VanDerWaalsContact N-O 3.08Å; S139-R142 CarbonylContact O-C 3.6Å; S139-R142 PolarHBondContact O-N 3.19Å; S139-R142 PolarHBondContact OG-N 3.28Å; S139-R142 VanDerWaalsContact OG-N 3.16Å; S139-N143 WeakPolarHBondContact O-CB 3.09Å; S139-N143 PolarHBondContact O-N 2.89Å
140	D	90.6	Very high	96.9	Very high	81 Å²	81	43.6 Å²	43.6	43%	0.433	23%	0.225	S	C	.	.	S	Bend	trans	-60.7	-32.1	179.7	-66.5	9.5	0	0	0	112.4	N120 C121 N143	N120-D140 VanDerWaalsContact CA-OD1 3.27Å; N120-D140 WeakPolarHBondContact CA-OD1 3.45Å; N120-D140 VanDerWaalsContact CG-OD1 3.31Å; N120-D140 VanDerWaalsContact ND2-CG 3.32Å; N120-D140 PolarHBondContact ND2-OD1 3.03Å; N120-D140 PolarHBondContact ND2-OD2 2.71Å; C121-D140 PolarHBondContact N-OD1 2.96Å; D140-N143 PolarHBondContact O-ND2 3.16Å
141	L	94.4	Very high	96.6	Very high	50 Å²	50	42.3 Å²	42.3	26%	0.262	22%	0.217	S	C	.	.	S	Bend	trans	-77	-48.6	174.1	-172.9	64.9	0	0	0	111.3	L89 F92 S139 N143	L89-L141 HydrophobicContact CB-CD1 4.1Å; L89-L141 HydrophobicContact CD1-CD1 4.11Å; F92-L141 HydrophobicContact CB-CD1 4.37Å; F92-L141 HydrophobicContact CB-CD2 4.01Å; F92-L141 HydrophobicContact CB-CG 4.14Å; F92-L141 HydrophobicContact CD1-CD1 4.21Å; F92-L141 HydrophobicContact CD1-CG 3.88Å; F92-L141 VanDerWaalsContact CE1-O 3.24Å; F92-L141 WeakPolarHBondContact CE1-O 3.38Å; F92-L141 HydrophobicContact CG-CD2 4.35Å; F92-L141 HydrophobicContact CG-CG 4.13Å; S139-L141 PolarHBondContact O-N 2.97Å; L141-N143 PolarHBondContact O-N 3.01Å
142	R	97.5	Very high	96.2	Very high	131 Å²	131	45.6 Å²	45.6	49%	0.494	24%	0.24	S	C	.	.			trans	-95.9	66.4	-179.6	-63.6	-174.4	-178.6	139.8	-0.1	110	D41 F92 G137 T138 S139	D41-R142 HydrophobicContact CB-CB 4.29Å; D41-R142 VanDerWaalsContact OD2-CA 3.22Å; D41-R142 WeakPolarHBondContact OD2-CA 3.36Å; D41-R142 WeakPolarHBondContact OD2-CB 3.32Å; D41-R142 VanDerWaalsContact OD2-O 3.14Å; F92-R142 HydrophobicContact CD2-CG 4.29Å; F92-R142 HydrophobicContact CE1-CG 4.22Å; F92-R142 HydrophobicContact CE2-CG 3.8Å; F92-R142 HydrophobicContact CZ-CB 4.3Å; F92-R142 HydrophobicContact CZ-CG 3.76Å; G137-R142 CarbonylContact C-O 3.54Å; G137-R142 WeakPolarHBondContact CA-O 3.38Å; T138-R142 PolarHBondContact N-O 3.27Å; T138-R142 VanDerWaalsContact OG1-CB 3.26Å; T138-R142 WeakPolarHBondContact OG1-CB 3.45Å; T138-R142 PolarHBondContact OG1-O 2.69Å; S139-R142 PolarHBondContact N-O 2.87Å; S139-R142 VanDerWaalsContact N-O 3.08Å; S139-R142 CarbonylContact O-C 3.6Å; S139-R142 PolarHBondContact O-N 3.19Å; S139-R142 PolarHBondContact OG-N 3.28Å; S139-R142 VanDerWaalsContact OG-N 3.16Å
143	N	97.9	Very high	96	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.016	24%	0.241	C	C	.	.			trans	-104.4	26.5	-177.7	66.5	-0.3	0	0	0	112.4	K39 D41 V119 C121 R133 S139 D140 L141 V145	K39-N143 WeakPolarHBondContact CE-OD1 3.13Å; K39-N143 PolarHBondContact NZ-OD1 3.19Å; D41-N143 PolarHBondContact OD2-N 2.79Å; V119-N143 PolarHBondContact O-ND2 3.22Å; C121-N143 WeakPolarHBondContact SG-CB 3.4Å; R133-N143 HydrophobicContact CG-CB 4.16Å; R133-N143 WeakPolarHBondContact CG-O 3.47Å; R133-N143 PolarHBondContact NE-ND2 3.01Å; S139-N143 WeakPolarHBondContact O-CB 3.09Å; S139-N143 PolarHBondContact O-N 2.89Å; D140-N143 PolarHBondContact O-ND2 3.16Å; L141-N143 PolarHBondContact O-N 3.01Å; N143-V145 PolarHBondContact O-N 3.46Å
144	A	98.4	Very high	95.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	63.4	-40.3	173.9	0	0	0	0	0	118	K39 D41 A42	K39-A144 WeakPolarHBondContact CB-O 3.46Å; K39-A144 PolarHBondContact N-O 3.05Å; D41-A144 PolarHBondContact OD2-N 3.34Å; A42-A144 HydrophobicContact CB-CB 3.5Å; A42-A144 VanDerWaalsContact CB-CB 3.5Å
145	V	98.6	Very high	95.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	147.1	-169	-66.3	0	0	0	0	113.9	L37 I49 W112 I116 L132 R133 N143	L37-V145 CarbonylContact O-C 3.48Å; L37-V145 WeakPolarHBondContact O-CA 3.28Å; I49-V145 HydrophobicContact CD1-CG1 4.44Å; I49-V145 HydrophobicContact CG2-CG1 4.44Å; W112-V145 HydrophobicContact CZ2-CB 4.33Å; I116-V145 HydrophobicContact CB-CG2 3.74Å; I116-V145 HydrophobicContact CG2-CB 4.3Å; I116-V145 HydrophobicContact CG2-CG2 3.59Å; L132-V145 HydrophobicContact CB-CG2 4.1Å; L132-V145 HydrophobicContact CD1-CG1 4.41Å; R133-V145 HydrophobicContact CG-CG2 4.07Å; R133-V145 PolarHBondContact NH2-O 3.31Å; R133-V145 VanDerWaalsContact NH2-O 3.08Å; N143-V145 PolarHBondContact O-N 3.46Å
146	H	98.3	Very high	95.3	Very high	25 Å²	25	49.4 Å²	49.4	12%	0.116	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	149.9	170.4	177.6	79	0	0	0	110.6	A36 L37 W112 E157	A36-H146 WeakPolarHBondContact CA-O 3.47Å; L37-H146 HydrophobicContact CB-CB 3.88Å; L37-H146 HydrophobicContact CD1-CB 4.07Å; L37-H146 HydrophobicContact CG-CB 4.11Å; L37-H146 PolarHBondContact N-O 2.74Å; L37-H146 VanDerWaalsContact N-O 3.1Å; L37-H146 PolarHBondContact O-N 3.18Å; W112-H146 PolarHBondContact NE1-O 3.29Å; W112-H146 VanDerWaalsContact NE1-O 3.11Å; H146-E157 IonicContact CD2-OE2 3.01Å; H146-E157 IonicContact NE2-OE1 2.88Å; H146-E157 IonicContact NE2-OE2 3.95Å; H146-E157 PolarHBondContact NE2-OE2 2.76Å
147	G	97.5	Very high	95.3	Very high	5 Å²	5	48.4 Å²	48.4	5%	0.052	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	142.2	171.9	0	0	0	0	0	110.2	L35 W112	L35-G147 WeakPolarHBondContact O-CA 3.36Å; W112-G147 VanDerWaalsContact CD1-CA 3.46Å; W112-G147 VanDerWaalsContact NE1-CA 3.29Å
148	S	97.5	Very high	95.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.251	C	S	.	.			trans	-61.5	146.9	175.9	-49	0	0	0	0	111.4	L35 I109 A154 E157	L35-S148 WeakPolarHBondContact CB-OG 3.46Å; L35-S148 PolarHBondContact N-OG 3.47Å; L35-S148 PolarHBondContact O-N 3.22Å; I109-S148 WeakPolarHBondContact CG2-O 3.49Å; S148-A154 WeakPolarHBondContact OG-CA 3.33Å; S148-E157 WeakPolarHBondContact CA-OE2 3.17Å; S148-E157 WeakPolarHBondContact CB-OE2 3.34Å; S148-E157 PolarHBondContact OG-OE2 2.96Å
149	D	94.5	Very high	95.1	Very high	109 Å²	109	50 Å²	50	58%	0.583	25%	0.249	S	C	*	.	S	Bend	trans	-92.4	-24	-174.4	-90.6	-36.8	0	0	0	114.4	K113 S153	K113-D149 IonicContact NZ-OD1 3.17Å; K113-D149 PolarHBondContact NZ-OD1 3.11Å; D149-S153 PolarHBondContact N-OG 3.1Å
150	S	95	Very high	95.1	Very high	47 Å²	47	51.2 Å²	51.2	33%	0.329	25%	0.249	S	C	.	.	S	Bend	trans	-152.3	165.2	-175.4	72.1	0	0	0	0	111.6	I109 S152 S153 A154	I109-S150 WeakPolarHBondContact CD1-O 3.49Å; S150-S152 VanDerWaalsContact C-N 3.31Å; S150-S152 PolarHBondContact O-N 3.36Å; S150-S152 PolarHBondContact OG-OG 2.64Å; S150-S152 VanDerWaalsContact OG-OG 3.05Å; S150-S153 PolarHBondContact N-OG 2.95Å; S150-S153 PolarHBondContact O-N 2.82Å; S150-S153 PolarHBondContact O-OG 3.24Å; S150-S153 PolarHBondContact OG-N 3.37Å; S150-S153 VanDerWaalsContact OG-N 3.16Å; S150-S153 PolarHBondContact OG-OG 3.02Å; S150-A154 PolarHBondContact O-N 2.82Å
151	F	91.3	Very high	95.3	Very high	111 Å²	111	47.4 Å²	47.4	49%	0.487	23%	0.228	S	C	.	.	H	α-helix	trans	-52.6	-47.1	174.7	-71.3	-89.1	0	0	0	112.7	E32 I109 S153 A154 E155	E32-F151 HydrophobicContact CB-CE1 4.2Å; E32-F151 VanDerWaalsContact CD-CZ 3.42Å; E32-F151 HydrophobicContact CG-CD1 4.06Å; E32-F151 HydrophobicContact CG-CE1 3.42Å; E32-F151 VanDerWaalsContact CG-CE1 3.42Å; E32-F151 HydrophobicContact CG-CZ 4.07Å; E32-F151 WeakPolarHBondContact OE1-CE1 3.23Å; E32-F151 WeakPolarHBondContact OE1-CZ 3.44Å; I109-F151 HydrophobicContact CD1-CD1 4.43Å; I109-F151 HydrophobicContact CD1-CG 4.28Å; F151-S153 PolarHBondContact O-N 2.93Å; F151-A154 WeakPolarHBondContact O-CB 3.43Å; F151-A154 PolarHBondContact O-N 3.14Å; F151-E155 WeakPolarHBondContact O-CG 3.41Å; F151-E155 PolarHBondContact O-N 2.78Å
152	S	90.2	Very high	95.2	Very high	78 Å²	78	45.6 Å²	45.6	55%	0.545	22%	0.218	S	C	.	.	H	α-helix	trans	-65.3	-38.5	-179.8	56.6	0	0	0	0	112.6	S150 R156	S150-S152 VanDerWaalsContact C-N 3.31Å; S150-S152 PolarHBondContact O-N 3.36Å; S150-S152 PolarHBondContact OG-OG 2.64Å; S150-S152 VanDerWaalsContact OG-OG 3.05Å; S152-R156 WeakPolarHBondContact O-CB 3.37Å; S152-R156 PolarHBondContact O-N 3.05Å
153	S	94.6	Very high	94.7	Very high	4 Å²	4	43.3 Å²	43.3	3%	0.028	22%	0.22	C	C	.	.	H	α-helix	trans	-65.5	-42.3	173.3	67.8	0	0	0	0	111.1	D149 S150 F151 E155 R156 E157	D149-S153 PolarHBondContact N-OG 3.1Å; S150-S153 PolarHBondContact N-OG 2.95Å; S150-S153 PolarHBondContact O-N 2.82Å; S150-S153 PolarHBondContact O-OG 3.24Å; S150-S153 PolarHBondContact OG-N 3.37Å; S150-S153 VanDerWaalsContact OG-N 3.16Å; S150-S153 PolarHBondContact OG-OG 3.02Å; F151-S153 PolarHBondContact O-N 2.93Å; S153-E155 PolarHBondContact O-N 3.34Å; S153-R156 PolarHBondContact O-N 3.38Å; S153-E157 WeakPolarHBondContact O-CB 3.21Å; S153-E157 WeakPolarHBondContact O-CG 3.39Å; S153-E157 PolarHBondContact O-N 3.31Å
154	A	95.2	Very high	93.6	Very high	2 Å²	2	50.9 Å²	50.9	2%	0.017	26%	0.261	C	S	.	.	H	α-helix	trans	-61.3	-46.7	178.8	0	0	0	0	0	111.8	R33 I109 S148 S150 F151 R156 E157 I158	R33-A154 WeakPolarHBondContact O-CB 3.33Å; I109-A154 HydrophobicContact CD1-CB 3.89Å; I109-A154 HydrophobicContact CG1-CB 4.48Å; S148-A154 WeakPolarHBondContact OG-CA 3.33Å; S150-A154 PolarHBondContact O-N 2.82Å; F151-A154 WeakPolarHBondContact O-CB 3.43Å; F151-A154 PolarHBondContact O-N 3.14Å; A154-R156 PolarHBondContact O-N 3.04Å; A154-E157 PolarHBondContact O-N 3.41Å; A154-I158 WeakPolarHBondContact O-CB 3.34Å; A154-I158 WeakPolarHBondContact O-CD1 3.46Å; A154-I158 WeakPolarHBondContact O-CG1 3.39Å; A154-I158 PolarHBondContact O-N 2.97Å
155	E	91.2	Very high	91.9	Very high	104 Å²	104	52.7 Å²	52.7	49%	0.486	27%	0.273	S	S	.	.	H	α-helix	trans	-59.4	-49	177.4	-72.4	-177.3	152.2	0	0	112	F151 S153 K159	F151-E155 WeakPolarHBondContact O-CG 3.41Å; F151-E155 PolarHBondContact O-N 2.78Å; S153-E155 PolarHBondContact O-N 3.34Å; E155-K159 VanDerWaalsContact O-CB 3.27Å; E155-K159 WeakPolarHBondContact O-CB 3.42Å; E155-K159 PolarHBondContact O-N 3.46Å
156	R	93.5	Very high	90.1	Very high	103 Å²	103	59 Å²	59	39%	0.389	31%	0.311	S	S	.	.	H	α-helix	trans	-62.2	-48.2	178.5	179.6	-171.6	63.1	-132.2	2.8	111.9	E79 S152 S153 A154 K159 F160	E79-R156 IonicContact OE1-CZ 2.69Å; E79-R156 IonicContact OE1-NH1 2.74Å; E79-R156 PolarHBondContact OE1-NH1 3.01Å; E79-R156 IonicContact OE1-NH2 2.71Å; E79-R156 PolarHBondContact OE1-NH2 3.35Å; E79-R156 IonicContact OE2-CZ 2.97Å; E79-R156 IonicContact OE2-NH2 2.68Å; E79-R156 PolarHBondContact OE2-NH2 3.23Å; S152-R156 WeakPolarHBondContact O-CB 3.37Å; S152-R156 PolarHBondContact O-N 3.05Å; S153-R156 PolarHBondContact O-N 3.38Å; A154-R156 PolarHBondContact O-N 3.04Å; R156-K159 PolarHBondContact O-N 3.07Å; R156-F160 WeakPolarHBondContact O-CB 3.38Å; R156-F160 PolarHBondContact O-N 2.94Å
157	E	96.7	Very high	88.1	Confident	13 Å²	13	59 Å²	59	6%	0.061	31%	0.312	C	S	.	.	H	α-helix	trans	-68.1	-41.5	-176	-73.4	175.8	-167.7	0	0	111.9	L35 F76 H146 S148 S153 A154 F160 M161	L35-E157 HydrophobicContact CB-CB 4.1Å; L35-E157 HydrophobicContact CD2-CB 3.62Å; L35-E157 HydrophobicContact CD2-CG 4.46Å; L35-E157 HydrophobicContact CG-CB 4.47Å; F76-E157 HydrophobicContact CE2-CB 3.87Å; F76-E157 HydrophobicContact CE2-CG 3.71Å; F76-E157 HydrophobicContact CZ-CB 4.26Å; F76-E157 HydrophobicContact CZ-CG 3.88Å; H146-E157 IonicContact CD2-OE2 3.01Å; H146-E157 IonicContact NE2-OE1 2.88Å; H146-E157 IonicContact NE2-OE2 3.95Å; H146-E157 PolarHBondContact NE2-OE2 2.76Å; S148-E157 WeakPolarHBondContact CA-OE2 3.17Å; S148-E157 WeakPolarHBondContact CB-OE2 3.34Å; S148-E157 PolarHBondContact OG-OE2 2.96Å; S153-E157 WeakPolarHBondContact O-CB 3.21Å; S153-E157 WeakPolarHBondContact O-CG 3.39Å; S153-E157 PolarHBondContact O-N 3.31Å; A154-E157 PolarHBondContact O-N 3.41Å; E157-F160 WeakPolarHBondContact O-CB 3.47Å; E157-F160 PolarHBondContact O-N 3.01Å; E157-M161 WeakPolarHBondContact O-CG 2.99Å; E157-M161 PolarHBondContact O-N 3.09Å; E157-M161 VanDerWaalsContact O-N 3.07Å
158	I	95.4	Very high	86.3	Confident	10 Å²	10	63 Å²	63	5%	0.051	33%	0.329	C	S	.	.	H	α-helix	trans	-61.6	-47	173.4	-70.9	169.5	0	0	0	109.8	R33 L35 A102 A154 F160 M161 F162 I167	R33-I158 HydrophobicContact CB-CD1 3.95Å; L35-I158 HydrophobicContact CB-CG1 3.99Å; L35-I158 HydrophobicContact CD1-CG1 4.4Å; A102-I158 HydrophobicContact CB-CG2 4.39Å; A154-I158 WeakPolarHBondContact O-CB 3.34Å; A154-I158 WeakPolarHBondContact O-CD1 3.46Å; A154-I158 WeakPolarHBondContact O-CG1 3.39Å; A154-I158 PolarHBondContact O-N 2.97Å; I158-F160 VanDerWaalsContact C-N 3.29Å; I158-F160 PolarHBondContact O-N 3.44Å; I158-M161 PolarHBondContact O-N 3.44Å; I158-F162 HydrophobicContact CG2-CD2 4.19Å; I158-F162 WeakPolarHBondContact O-CB 3.07Å; I158-F162 WeakPolarHBondContact O-CD2 3.32Å; I158-F162 PolarHBondContact O-N 3.12Å; I158-I167 HydrophobicContact CG2-CB 4.21Å; I158-I167 HydrophobicContact CG2-CD1 3.66Å; I158-I167 HydrophobicContact CG2-CG1 4.42Å; I158-I167 HydrophobicContact CG2-CG2 4.36Å
159	K	93.3	Very high	84.4	Confident	126 Å²	126	65.9 Å²	65.9	55%	0.548	35%	0.348	S	S	.	.	H	α-helix	trans	-61	-38.2	178	-172.5	169.7	-167	151	0	112.4	E155 R156 F162 P163 E168	E155-K159 VanDerWaalsContact O-CB 3.27Å; E155-K159 WeakPolarHBondContact O-CB 3.42Å; E155-K159 PolarHBondContact O-N 3.46Å; R156-K159 PolarHBondContact O-N 3.07Å; K159-F162 CarbonylContact O-C 3.58Å; K159-P163 VanDerWaalsContact O-CA 3.32Å; K159-P163 WeakPolarHBondContact O-CA 3.17Å; K159-E168 IonicContact NZ-OE1 3.78Å; K159-E168 PolarHBondContact NZ-OE1 3.46Å
160	F	94.4	Very high	82.8	Confident	74 Å²	74	66.2 Å²	66.2	33%	0.325	35%	0.349	S	S	.	.	H	α-helix	trans	-62	-45.7	175.1	-172.1	-82.4	0	0	0	111.8	L68 Q72 D75 F76 R156 E157 I158	L68-F160 HydrophobicContact CD2-CE1 4.41Å; Q72-F160 HydrophobicContact CB-CZ 4.38Å; Q72-F160 WeakPolarHBondContact O-CZ 3.33Å; D75-F160 HydrophobicContact CB-CE2 4.09Å; D75-F160 HydrophobicContact CB-CZ 4.41Å; F76-F160 HydrophobicContact CB-CD1 4.36Å; F76-F160 HydrophobicContact CB-CE1 3.92Å; F76-F160 HydrophobicContact CB-CE2 4.46Å; F76-F160 HydrophobicContact CB-CZ 3.97Å; F76-F160 HydrophobicContact CD2-CB 4.38Å; F76-F160 AromaticContact CD2-CD1 3.62Å; F76-F160 HydrophobicContact CD2-CD1 3.62Å; F76-F160 HydrophobicContact CD2-CE1 4.02Å; F76-F160 AromaticContact CD2-CG 3.98Å; F76-F160 HydrophobicContact CD2-CG 3.98Å; F76-F160 HydrophobicContact CE2-CD1 4.44Å; F76-F160 HydrophobicContact CG-CD1 4.4Å; F76-F160 HydrophobicContact CG-CE1 4.36Å; R156-F160 WeakPolarHBondContact O-CB 3.38Å; R156-F160 PolarHBondContact O-N 2.94Å; E157-F160 WeakPolarHBondContact O-CB 3.47Å; E157-F160 PolarHBondContact O-N 3.01Å; I158-F160 VanDerWaalsContact C-N 3.29Å; I158-F160 PolarHBondContact O-N 3.44Å
161	M	95.6	Very high	81.3	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-78.2	-28.1	-177.4	-66	-67.4	171.8	0	0	113.3	L35 L37 R64 L66 L68 F76 I98 A100 E157 I158	L35-M161 HydrophobicContact CD1-CB 4.18Å; L35-M161 HydrophobicContact CD1-CG 3.97Å; L35-M161 HydrophobicContact CD2-CG 3.87Å; L37-M161 HydrophobicContact CD1-CE 3.91Å; L37-M161 HydrophobicContact CD2-CE 3.98Å; L37-M161 HydrophobicContact CD2-CG 4.34Å; L37-M161 HydrophobicContact CD2-SD 4.23Å; R64-M161 PolarHBondContact NH1-O 3.06Å; L66-M161 HydrophobicContact CD1-SD 4.09Å; L68-M161 HydrophobicContact CD1-CE 3.9Å; F76-M161 HydrophobicContact CD1-CE 4.37Å; F76-M161 HydrophobicContact CD2-CE 3.54Å; F76-M161 HydrophobicContact CE1-CE 4.27Å; F76-M161 HydrophobicContact CE2-CE 3.4Å; F76-M161 VanDerWaalsContact CE2-CE 3.4Å; F76-M161 HydrophobicContact CE2-CG 4.47Å; F76-M161 HydrophobicContact CG-CE 4.03Å; F76-M161 HydrophobicContact CZ-CE 3.81Å; I98-M161 HydrophobicContact CD1-CE 4.28Å; I98-M161 HydrophobicContact CD1-SD 4.48Å; A100-M161 HydrophobicContact CB-CB 4.03Å; A100-M161 HydrophobicContact CB-CG 4.08Å; A100-M161 HydrophobicContact CB-SD 4.12Å; E157-M161 WeakPolarHBondContact O-CG 2.99Å; E157-M161 PolarHBondContact O-N 3.09Å; E157-M161 VanDerWaalsContact O-N 3.07Å; I158-M161 PolarHBondContact O-N 3.44Å
162	F	93.6	Very high	80.1	Confident	13 Å²	13	65.7 Å²	65.7	6%	0.057	35%	0.348	C	S	.	.			trans	-130.8	63.3	-173.9	-56	-81.1	0	0	0	112	L35 Q62 R64 A100 A102 I158 K159 N164 S165 I167	L35-F162 HydrophobicContact CD1-CE2 4.03Å; Q62-F162 HydrophobicContact CB-CD1 3.95Å; Q62-F162 HydrophobicContact CB-CE1 3.64Å; Q62-F162 HydrophobicContact CB-CZ 4.03Å; Q62-F162 VanDerWaalsContact OE1-CG 3.31Å; R64-F162 HydrophobicContact CB-CD1 4.35Å; R64-F162 HydrophobicContact CB-CE1 3.62Å; R64-F162 HydrophobicContact CB-CZ 4.27Å; A100-F162 HydrophobicContact CB-CE2 4.19Å; A100-F162 HydrophobicContact CB-CZ 3.97Å; A102-F162 HydrophobicContact CB-CD2 4.27Å; A102-F162 HydrophobicContact CB-CE2 3.9Å; A102-F162 HydrophobicContact CB-CZ 4.41Å; I158-F162 HydrophobicContact CG2-CD2 4.19Å; I158-F162 WeakPolarHBondContact O-CB 3.07Å; I158-F162 WeakPolarHBondContact O-CD2 3.32Å; I158-F162 PolarHBondContact O-N 3.12Å; K159-F162 CarbonylContact O-C 3.58Å; F162-N164 VanDerWaalsContact C-N 3.27Å; F162-N164 PolarHBondContact O-N 3.3Å; F162-S165 WeakPolarHBondContact O-CB 3.24Å; F162-S165 PolarHBondContact O-N 2.94Å; F162-S165 VanDerWaalsContact O-N 3.12Å; F162-I167 HydrophobicContact CB-CD1 4.23Å
163	P	85.1	Confident	79.7	Confident	82 Å²	82	64.5 Å²	64.5	53%	0.532	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-24.2	-171	26.2	-35.8	0	0	0	114.4	K159 S165	K159-P163 VanDerWaalsContact O-CA 3.32Å; K159-P163 WeakPolarHBondContact O-CA 3.17Å; P163-S165 VanDerWaalsContact C-N 3.32Å
164	N	75.6	Confident	78.9	Confident	163 Å²	163	71.5 Å²	71.5	87%	0.872	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	5.3	179.8	-64.5	-25.7	0	0	0	112.9	F162	F162-N164 VanDerWaalsContact C-N 3.27Å; F162-N164 PolarHBondContact O-N 3.3Å
165	S	63.1	Low	77.9	Confident	37 Å²	37	74.1 Å²	74.1	26%	0.259	40%	0.402	S	S	.	.			trans	-103.4	121.8	-173.8	-62.7	0	0	0	0	109.9	Q62 F162 P163 I167	Q62-S165 PolarHBondContact NE2-OG 3.17Å; Q62-S165 PolarHBondContact OE1-OG 2.79Å; F162-S165 WeakPolarHBondContact O-CB 3.24Å; F162-S165 PolarHBondContact O-N 2.94Å; F162-S165 VanDerWaalsContact O-N 3.12Å; P163-S165 VanDerWaalsContact C-N 3.32Å; S165-I167 VanDerWaalsContact CB-CG1 3.42Å; S165-I167 PolarHBondContact O-N 3.08Å
166	V	60.2	Low	77.4	Confident	133 Å²	133	70.3 Å²	70.3	81%	0.806	39%	0.389	S	S	*	.			trans	-73.9	80.4	169.2	-173.4	0	0	0	0	107.7
167	I	57.4	Low	76.9	Confident	24 Å²	24	72.8 Å²	72.8	12%	0.123	40%	0.402	C	S	.	.			trans	-108.6	40.7	175.6	-36.8	-176	0	0	0	109.7	R33 L61 Q62 A102 I158 F162 S165	R33-I167 VanDerWaalsContact NH1-C 3.28Å; R33-I167 PolarHBondContact NH1-O 2.96Å; L61-I167 HydrophobicContact CD1-CG2 4.38Å; Q62-I167 VanDerWaalsContact CD-CD1 3.43Å; Q62-I167 HydrophobicContact CG-CD1 4.06Å; A102-I167 HydrophobicContact CB-CD1 4.16Å; I158-I167 HydrophobicContact CG2-CB 4.21Å; I158-I167 HydrophobicContact CG2-CD1 3.66Å; I158-I167 HydrophobicContact CG2-CG1 4.42Å; I158-I167 HydrophobicContact CG2-CG2 4.36Å; F162-I167 HydrophobicContact CB-CD1 4.23Å; S165-I167 VanDerWaalsContact CB-CG1 3.42Å; S165-I167 PolarHBondContact O-N 3.08Å
168	E	59.6	Low	76.3	Confident	90 Å²	90	77.2 Å²	77.2	42%	0.421	43%	0.426	S	S	.	.	S	Bend	trans	-110.6	147.3	173.8	-65.4	-174.6	-171.7	0	0	108.8	K159 I170	K159-E168 IonicContact NZ-OE1 3.78Å; K159-E168 PolarHBondContact NZ-OE1 3.46Å; E168-I170 PolarHBondContact O-N 3.01Å; E168-I170 VanDerWaalsContact O-N 3.15Å
169	P	56.4	Low	75.6	Confident	60 Å²	60	83 Å²	83	39%	0.39	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-57.9	116.4	148.2	28.3	-30.1	0	0	0	106.1	Y30 P171	Y30-P169 HydrophobicContact CE2-CB 4.32Å; Y30-P169 HydrophobicContact CE2-CG 4.05Å; P169-P171 WeakPolarHBondContact O-CD 3.35Å
170	I	61.5	Low	75.1	Confident	116 Å²	116	81.2 Å²	81.2	60%	0.595	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-50	120	175.2	-61.5	173.1	0	0	0	106.9	E168 M172	E168-I170 PolarHBondContact O-N 3.01Å; E168-I170 VanDerWaalsContact O-N 3.15Å; I170-M172 WeakPolarHBondContact O-CG 3.38Å; I170-M172 PolarHBondContact O-N 2.97Å
171	P	63	Low	74.7	Confident	53 Å²	53	79.6 Å²	79.6	34%	0.344	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-51.5	131	178.7	-25.8	32.8	0	0	0	109	P169 A175 A176	P169-P171 WeakPolarHBondContact O-CD 3.35Å; P171-A175 HydrophobicContact CB-CB 4.34Å; P171-A176 HydrophobicContact CB-CB 4.22Å; P171-A176 WeakPolarHBondContact O-CB 3.45Å
172	M	66.9	Low	74.2	Confident	95 Å²	95	88.9 Å²	88.9	47%	0.468	48%	0.484	S	S	.	.			trans	-125.3	157.5	178.8	-68.7	-164.4	-64.4	0	0	110.3	R28 I170 E174	R28-M172 VanDerWaalsContact CZ-CE 3.48Å; R28-M172 PolarHBondContact NH1-SD 2.9Å; R28-M172 PolarHBondContact NH2-SD 2.62Å; R28-M172 VanDerWaalsContact NH2-SD 3.39Å; I170-M172 WeakPolarHBondContact O-CG 3.38Å; I170-M172 PolarHBondContact O-N 2.97Å; M172-E174 PolarHBondContact O-N 2.68Å
173	G	81.2	Confident	73.7	Confident	52 Å²	52	93 Å²	93	54%	0.536	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	-126.9	177.4	0	0	0	0	0	112.2	A176 K177	G173-A176 PolarHBondContact O-N 3.09Å; G173-K177 WeakPolarHBondContact O-CG 3.36Å; G173-K177 PolarHBondContact O-N 2.91Å
174	E	78.6	Confident	73.7	Confident	151 Å²	151	91.6 Å²	91.6	71%	0.706	49%	0.491	S	S	*	.	H	α-helix	trans	-67.5	-42.2	-174.3	-164.3	161	-158.8	0	0	112.5	M172 A176 K177 D178	M172-E174 PolarHBondContact O-N 2.68Å; E174-A176 VanDerWaalsContact C-N 3.25Å; E174-A176 PolarHBondContact O-N 3.01Å; E174-K177 WeakPolarHBondContact O-CB 3.22Å; E174-K177 PolarHBondContact O-N 3.32Å; E174-D178 PolarHBondContact O-N 2.72Å
175	A	74.1	Confident	74.5	Confident	58 Å²	58	86.4 Å²	86.4	48%	0.479	47%	0.468	S	S	.	.	H	α-helix	trans	-59.7	-35.3	176.5	0	0	0	0	0	112.9	P171 Y179	P171-A175 HydrophobicContact CB-CB 4.34Å; A175-Y179 WeakPolarHBondContact O-CB 3.41Å; A175-Y179 PolarHBondContact O-N 2.72Å
176	A	80.6	Confident	75.9	Confident	24 Å²	24	87.8 Å²	87.8	20%	0.198	48%	0.476	C	S	.	.	H	α-helix	trans	-67.5	-44.1	174.2	0	0	0	0	0	111.6	P171 G173 E174 D178 Y179 L180	P171-A176 HydrophobicContact CB-CB 4.22Å; P171-A176 WeakPolarHBondContact O-CB 3.45Å; G173-A176 PolarHBondContact O-N 3.09Å; E174-A176 VanDerWaalsContact C-N 3.25Å; E174-A176 PolarHBondContact O-N 3.01Å; A176-D178 VanDerWaalsContact C-N 3.35Å; A176-Y179 PolarHBondContact O-N 3.47Å; A176-L180 WeakPolarHBondContact O-CB 3.09Å; A176-L180 VanDerWaalsContact O-CG 3.23Å; A176-L180 WeakPolarHBondContact O-CG 3.24Å; A176-L180 PolarHBondContact O-N 3.43Å
177	K	83.6	Confident	77.5	Confident	155 Å²	155	82.9 Å²	82.9	67%	0.674	45%	0.447	S	S	*	.	H	α-helix	trans	-63.1	-42.5	178.2	-70.5	177.1	-179.3	179.8	0	111.2	G173 E174 L180 G181	G173-K177 WeakPolarHBondContact O-CG 3.36Å; G173-K177 PolarHBondContact O-N 2.91Å; E174-K177 WeakPolarHBondContact O-CB 3.22Å; E174-K177 PolarHBondContact O-N 3.32Å; K177-L180 PolarHBondContact O-N 3.42Å; K177-G181 PolarHBondContact O-N 3.32Å
178	D	83.4	Confident	79.2	Confident	106 Å²	106	84.7 Å²	84.7	57%	0.567	46%	0.456	S	S	*	.	H	α-helix	trans	-64.5	-45.5	178.3	-73.1	-7.2	0	0	0	111.5	E174 A176 G181 R182	E174-D178 PolarHBondContact O-N 2.72Å; A176-D178 VanDerWaalsContact C-N 3.35Å; D178-G181 PolarHBondContact O-N 2.98Å; D178-R182 VanDerWaalsContact O-CB 3.22Å; D178-R182 WeakPolarHBondContact O-CB 3.35Å; D178-R182 PolarHBondContact O-N 3.42Å
179	Y	80.1	Confident	80.9	Confident	131 Å²	131	85.9 Å²	85.9	51%	0.514	47%	0.465	S	S	.	.	H	α-helix	trans	-60.3	-48.5	176.1	-177.7	-89.6	0	0	0	111.4	A175 A176 R182 F183 V184	A175-Y179 WeakPolarHBondContact O-CB 3.41Å; A175-Y179 PolarHBondContact O-N 2.72Å; A176-Y179 PolarHBondContact O-N 3.47Å; Y179-R182 PolarHBondContact O-N 3.47Å; Y179-F183 AromaticContact CD2-CD2 3.53Å; Y179-F183 HydrophobicContact CD2-CD2 3.53Å; Y179-F183 AromaticContact CD2-CE2 3.99Å; Y179-F183 HydrophobicContact CD2-CE2 3.99Å; Y179-F183 HydrophobicContact CD2-CG 4.5Å; Y179-F183 HydrophobicContact CE2-CB 4.46Å; Y179-F183 AromaticContact CE2-CD2 3.69Å; Y179-F183 HydrophobicContact CE2-CD2 3.69Å; Y179-F183 HydrophobicContact CE2-CE2 4.26Å; Y179-F183 HydrophobicContact CE2-CG 4.29Å; Y179-F183 HydrophobicContact CG-CD2 4.09Å; Y179-F183 WeakPolarHBondContact O-CB 3.31Å; Y179-F183 WeakPolarHBondContact O-CD2 3.36Å; Y179-F183 PolarHBondContact O-N 2.96Å; Y179-V184 HydrophobicContact CD1-CG2 4.36Å; Y179-V184 HydrophobicContact CE1-CG2 3.98Å
180	L	83.2	Confident	82.7	Confident	88 Å²	88	86 Å²	86	46%	0.461	47%	0.467	S	S	.	.	I	π-helix	trans	-59.7	-50.4	177.3	-71.6	172.4	0	0	0	110.6	A176 K177 R182 V184 S185	A176-L180 WeakPolarHBondContact O-CB 3.09Å; A176-L180 VanDerWaalsContact O-CG 3.23Å; A176-L180 WeakPolarHBondContact O-CG 3.24Å; A176-L180 PolarHBondContact O-N 3.43Å; K177-L180 PolarHBondContact O-N 3.42Å; L180-R182 VanDerWaalsContact C-N 3.29Å; L180-R182 PolarHBondContact O-N 3.34Å; L180-V184 HydrophobicContact CD2-CB 4Å; L180-V184 HydrophobicContact CD2-CG1 4.19Å; L180-V184 HydrophobicContact CD2-CG2 4.01Å; L180-V184 CarbonylContact O-C 3.56Å; L180-V184 WeakPolarHBondContact O-CA 3.35Å; L180-V184 PolarHBondContact O-N 3.43Å; L180-S185 WeakPolarHBondContact O-CB 3.46Å; L180-S185 PolarHBondContact O-N 2.89Å; L180-S185 PolarHBondContact O-OG 2.95Å
181	G	86.2	Confident	84.3	Confident	41 Å²	41	80.5 Å²	80.5	42%	0.423	44%	0.439	S	S	.	.	I	π-helix	trans	-59.8	-37.6	-179.2	0	0	0	0	0	113.3	K177 D178 P186	K177-G181 PolarHBondContact O-N 3.32Å; D178-G181 PolarHBondContact O-N 2.98Å; G181-P186 WeakPolarHBondContact O-CD 3.37Å
182	R	85.1	Confident	85.9	Confident	195 Å²	195	81.5 Å²	81.5	74%	0.736	44%	0.441	S	S	*	.	I	π-helix	trans	-83.9	-40	-176.5	-171.1	168.8	-179.7	170.2	0.4	113.7	D178 Y179 L180	D178-R182 VanDerWaalsContact O-CB 3.22Å; D178-R182 WeakPolarHBondContact O-CB 3.35Å; D178-R182 PolarHBondContact O-N 3.42Å; Y179-R182 PolarHBondContact O-N 3.47Å; L180-R182 VanDerWaalsContact C-N 3.29Å; L180-R182 PolarHBondContact O-N 3.34Å
183	F	81.8	Confident	87.3	Confident	100 Å²	100	80.1 Å²	80.1	44%	0.439	44%	0.438	S	S	.	.	I	π-helix	trans	-115.9	-19.7	-167	-58.4	-72.1	0	0	0	114.6	Y179	Y179-F183 AromaticContact CD2-CD2 3.53Å; Y179-F183 HydrophobicContact CD2-CD2 3.53Å; Y179-F183 AromaticContact CD2-CE2 3.99Å; Y179-F183 HydrophobicContact CD2-CE2 3.99Å; Y179-F183 HydrophobicContact CD2-CG 4.5Å; Y179-F183 HydrophobicContact CE2-CB 4.46Å; Y179-F183 AromaticContact CE2-CD2 3.69Å; Y179-F183 HydrophobicContact CE2-CD2 3.69Å; Y179-F183 HydrophobicContact CE2-CE2 4.26Å; Y179-F183 HydrophobicContact CE2-CG 4.29Å; Y179-F183 HydrophobicContact CG-CD2 4.09Å; Y179-F183 WeakPolarHBondContact O-CB 3.31Å; Y179-F183 WeakPolarHBondContact O-CD2 3.36Å; Y179-F183 PolarHBondContact O-N 2.96Å
184	V	86.2	Confident	88	Confident	51 Å²	51	80 Å²	80	31%	0.309	42%	0.423	S	S	.	.	I	π-helix	trans	-116	-52.7	-172.9	-177.7	0	0	0	0	111.9	Y179 L180 P186 T187 L188	Y179-V184 HydrophobicContact CD1-CG2 4.36Å; Y179-V184 HydrophobicContact CE1-CG2 3.98Å; L180-V184 HydrophobicContact CD2-CB 4Å; L180-V184 HydrophobicContact CD2-CG1 4.19Å; L180-V184 HydrophobicContact CD2-CG2 4.01Å; L180-V184 CarbonylContact O-C 3.56Å; L180-V184 WeakPolarHBondContact O-CA 3.35Å; L180-V184 PolarHBondContact O-N 3.43Å; V184-P186 VanDerWaalsContact C-CD 3.47Å; V184-T187 PolarHBondContact O-N 2.62Å; V184-L188 HydrophobicContact CG1-CB 4.43Å; V184-L188 HydrophobicContact CG1-CD2 4.34Å; V184-L188 VanDerWaalsContact O-CB 3.29Å; V184-L188 WeakPolarHBondContact O-CB 3.33Å; V184-L188 PolarHBondContact O-N 3.23Å
185	S	92	Very high	88.8	Confident	54 Å²	54	74 Å²	74	38%	0.378	40%	0.396	S	S	.	.	H	α-helix	trans	-56.3	-41.1	-173	-63.7	0	0	0	0	114.4	L180 T187 L189	L180-S185 WeakPolarHBondContact O-CB 3.46Å; L180-S185 PolarHBondContact O-N 2.89Å; L180-S185 PolarHBondContact O-OG 2.95Å; S185-T187 PolarHBondContact O-N 2.89Å; S185-L189 WeakPolarHBondContact O-CB 3.21Å; S185-L189 PolarHBondContact O-N 3.01Å
186	P	93.8	Very high	89.7	Confident	67 Å²	67	75.7 Å²	75.7	44%	0.435	40%	0.403	S	S	.	.	H	α-helix	trans	-61.5	-48	-178.3	-24.6	35.5	0	0	0	113	G181 V184 S190	G181-P186 WeakPolarHBondContact O-CD 3.37Å; V184-P186 VanDerWaalsContact C-CD 3.47Å; P186-S190 PolarHBondContact O-N 3.16Å; P186-S190 PolarHBondContact O-OG 3.39Å
187	T	92.8	Very high	90.4	Very high	30 Å²	30	81.1 Å²	81.1	18%	0.184	42%	0.422	C	S	.	.	H	α-helix	trans	-72.8	-42.3	179.7	-51.8	0	0	0	0	111.1	V184 S185 S190 G191 W210 L211 N214	V184-T187 PolarHBondContact O-N 2.62Å; S185-T187 PolarHBondContact O-N 2.89Å; T187-S190 PolarHBondContact O-N 3.25Å; T187-G191 PolarHBondContact O-N 3.07Å; T187-W210 HydrophobicContact CG2-CZ3 4.09Å; T187-W210 WeakPolarHBondContact O-CZ3 3.3Å; T187-L211 HydrophobicContact CG2-CD2 4.01Å; T187-N214 WeakPolarHBondContact CG2-O 3.38Å
188	L	93.9	Very high	91	Very high	61 Å²	61	78.8 Å²	78.8	32%	0.319	41%	0.414	S	S	.	.	H	α-helix	trans	-63.4	-44.5	179.5	-178.8	60.6	0	0	0	112.3	V184 S190 G191 L192 L211	V184-L188 HydrophobicContact CG1-CB 4.43Å; V184-L188 HydrophobicContact CG1-CD2 4.34Å; V184-L188 VanDerWaalsContact O-CB 3.29Å; V184-L188 WeakPolarHBondContact O-CB 3.33Å; V184-L188 PolarHBondContact O-N 3.23Å; L188-S190 VanDerWaalsContact C-N 3.3Å; L188-S190 PolarHBondContact O-N 3.21Å; L188-G191 PolarHBondContact O-N 3.32Å; L188-L192 HydrophobicContact CD1-CD1 4.19Å; L188-L192 HydrophobicContact CD1-CG 4.17Å; L188-L192 HydrophobicContact CG-CD1 3.97Å; L188-L192 HydrophobicContact CG-CG 4.39Å; L188-L192 WeakPolarHBondContact O-CB 3.39Å; L188-L192 WeakPolarHBondContact O-CG 3.46Å; L188-L192 PolarHBondContact O-N 3.46Å; L188-L211 HydrophobicContact CD1-CD1 4.16Å; L188-L211 HydrophobicContact CD1-CD2 4.41Å
189	L	94.5	Very high	91.5	Very high	116 Å²	116	81.8 Å²	81.8	61%	0.607	42%	0.422	S	S	*	.	H	α-helix	trans	-63.1	-39.6	178.6	-175.9	64.7	0	0	0	111.3	S185 T193	S185-L189 WeakPolarHBondContact O-CB 3.21Å; S185-L189 PolarHBondContact O-N 3.01Å; L189-T193 VanDerWaalsContact O-CB 3.32Å; L189-T193 WeakPolarHBondContact O-CB 3.43Å; L189-T193 PolarHBondContact O-N 3.02Å; L189-T193 PolarHBondContact O-OG1 3.49Å
190	S	94.4	Very high	92.2	Very high	63 Å²	63	77 Å²	77	44%	0.441	41%	0.407	S	S	.	.	H	α-helix	trans	-62.7	-45.5	175.6	-59.5	0	0	0	0	111.4	P186 T187 L188 T193 E194	P186-S190 PolarHBondContact O-N 3.16Å; P186-S190 PolarHBondContact O-OG 3.39Å; T187-S190 PolarHBondContact O-N 3.25Å; L188-S190 VanDerWaalsContact C-N 3.3Å; L188-S190 PolarHBondContact O-N 3.21Å; S190-T193 WeakPolarHBondContact O-CB 3.47Å; S190-T193 PolarHBondContact O-N 3.37Å; S190-E194 PolarHBondContact O-N 3.14Å
191	G	95.4	Very high	92.7	Very high	0 Å²	0	80.3 Å²	80.3	0%	0	43%	0.43	C	S	.	.	H	α-helix	trans	-64.8	-43.3	177.4	0	0	0	0	0	113.2	T187 L188 T193 E194 L195 L207 W210	T187-G191 PolarHBondContact O-N 3.07Å; L188-G191 PolarHBondContact O-N 3.32Å; G191-T193 VanDerWaalsContact C-N 3.33Å; G191-T193 PolarHBondContact O-N 3.01Å; G191-E194 PolarHBondContact O-N 2.66Å; G191-L195 WeakPolarHBondContact O-CB 3.42Å; G191-L195 PolarHBondContact O-N 3.24Å; G191-L207 VanDerWaalsContact C-CD1 3.49Å; G191-W210 VanDerWaalsContact N-CZ3 3.31Å
192	L	95.9	Very high	93.1	Very high	73 Å²	73	82 Å²	82	38%	0.382	43%	0.43	S	S	.	.	H	α-helix	trans	-63.9	-38.8	175.3	-72.7	171.8	0	0	0	112.1	L188 E194 L195 C196 L207	L188-L192 HydrophobicContact CD1-CD1 4.19Å; L188-L192 HydrophobicContact CD1-CG 4.17Å; L188-L192 HydrophobicContact CG-CD1 3.97Å; L188-L192 HydrophobicContact CG-CG 4.39Å; L188-L192 WeakPolarHBondContact O-CB 3.39Å; L188-L192 WeakPolarHBondContact O-CG 3.46Å; L188-L192 PolarHBondContact O-N 3.46Å; L192-E194 VanDerWaalsContact C-N 3.32Å; L192-E194 PolarHBondContact O-N 2.94Å; L192-L195 HydrophobicContact CD2-CD2 4.41Å; L192-L195 PolarHBondContact O-N 2.82Å; L192-C196 PolarHBondContact O-N 2.63Å; L192-C196 PolarHBondContact O-SG 3.3Å; L192-C196 VanDerWaalsContact O-SG 3.34Å; L192-L207 HydrophobicContact CD2-CD2 3.71Å; L192-L207 HydrophobicContact CG-CD2 4.44Å
193	T	96.1	Very high	93.5	Very high	67 Å²	67	75.3 Å²	75.3	41%	0.411	41%	0.412	S	S	.	.	H	α-helix	trans	-61.6	-44.2	175.4	-60.8	0	0	0	0	110.6	L189 S190 G191 C196 K197	L189-T193 VanDerWaalsContact O-CB 3.32Å; L189-T193 WeakPolarHBondContact O-CB 3.43Å; L189-T193 PolarHBondContact O-N 3.02Å; L189-T193 PolarHBondContact O-OG1 3.49Å; S190-T193 WeakPolarHBondContact O-CB 3.47Å; S190-T193 PolarHBondContact O-N 3.37Å; G191-T193 VanDerWaalsContact C-N 3.33Å; G191-T193 PolarHBondContact O-N 3.01Å; T193-C196 PolarHBondContact O-N 3.4Å; T193-K197 WeakPolarHBondContact O-CG 3.25Å; T193-K197 PolarHBondContact O-N 2.96Å
194	E	96.3	Very high	94	Very high	49 Å²	49	79 Å²	79	23%	0.229	43%	0.428	C	S	.	.	H	α-helix	trans	-71.6	-37.3	179.9	-164.7	57.9	-152.1	0	0	112.3	S190 G191 L192 C196 K197 Q198 W206	S190-E194 PolarHBondContact O-N 3.14Å; G191-E194 PolarHBondContact O-N 2.66Å; L192-E194 VanDerWaalsContact C-N 3.32Å; L192-E194 PolarHBondContact O-N 2.94Å; E194-C196 VanDerWaalsContact C-N 3.32Å; E194-C196 PolarHBondContact O-N 3.36Å; E194-K197 WeakPolarHBondContact O-CB 3.34Å; E194-K197 PolarHBondContact O-N 3.44Å; E194-K197 VanDerWaalsContact O-N 3.1Å; E194-K197 WeakPolarHBondContact OE2-CD 3.46Å; E194-K197 IonicContact OE2-NZ 3.63Å; E194-K197 PolarHBondContact OE2-NZ 3.5Å; E194-Q198 PolarHBondContact O-N 3.3Å; E194-Q198 PolarHBondContact OE1-NE2 2.88Å; E194-W206 HydrophobicContact CB-CH2 3.82Å; E194-W206 HydrophobicContact CG-CH2 3.63Å; E194-W206 HydrophobicContact CG-CZ2 4.18Å
195	L	94.9	Very high	94.3	Very high	25 Å²	25	80.1 Å²	80.1	13%	0.131	44%	0.435	C	S	.	.	H	α-helix	trans	-57.2	-45.5	172.8	-179.9	69.3	0	0	0	111.6	G191 L192 K197 Q198 K199 P200 P203 W206 L207	G191-L195 WeakPolarHBondContact O-CB 3.42Å; G191-L195 PolarHBondContact O-N 3.24Å; L192-L195 HydrophobicContact CD2-CD2 4.41Å; L192-L195 PolarHBondContact O-N 2.82Å; L195-K197 PolarHBondContact O-N 3.48Å; L195-Q198 PolarHBondContact O-N 3.32Å; L195-K199 PolarHBondContact O-N 3.23Å; L195-P200 HydrophobicContact CD1-CG 3.49Å; L195-P200 VanDerWaalsContact CD1-CG 3.49Å; L195-P203 HydrophobicContact CD1-CB 3.78Å; L195-P203 HydrophobicContact CD2-CB 4.1Å; L195-P203 HydrophobicContact CG-CB 4.37Å; L195-W206 HydrophobicContact CB-CE3 4.03Å; L195-W206 HydrophobicContact CB-CZ3 3.72Å; L195-W206 HydrophobicContact CD1-CD2 4.12Å; L195-W206 HydrophobicContact CD1-CE3 3.44Å; L195-W206 VanDerWaalsContact CD1-CE3 3.44Å; L195-W206 HydrophobicContact CD1-CZ3 4.04Å; L195-W206 HydrophobicContact CG-CE3 4.34Å; L195-L207 HydrophobicContact CD2-CB 4.34Å; L195-L207 HydrophobicContact CD2-CD2 4.29Å
196	C	94.4	Very high	94.6	Very high	93 Å²	93	79.9 Å²	79.9	63%	0.628	43%	0.426	S	S	*	.	H	α-helix	trans	-63.3	-29.2	177.5	-75.4	0	0	0	0	113.3	L192 T193 E194 K199	L192-C196 PolarHBondContact O-N 2.63Å; L192-C196 PolarHBondContact O-SG 3.3Å; L192-C196 VanDerWaalsContact O-SG 3.34Å; T193-C196 PolarHBondContact O-N 3.4Å; E194-C196 VanDerWaalsContact C-N 3.32Å; E194-C196 PolarHBondContact O-N 3.36Å; C196-K199 WeakPolarHBondContact O-CE 3.47Å; C196-K199 WeakPolarHBondContact O-CG 3.14Å
197	K	94.9	Very high	94.6	Very high	139 Å²	139	78 Å²	78	60%	0.604	41%	0.412	S	S	*	.	H	α-helix	trans	-76.5	-47.6	175.5	-67	175.6	-162.3	158.6	0	111.8	T193 E194 L195	T193-K197 WeakPolarHBondContact O-CG 3.25Å; T193-K197 PolarHBondContact O-N 2.96Å; E194-K197 WeakPolarHBondContact O-CB 3.34Å; E194-K197 PolarHBondContact O-N 3.44Å; E194-K197 VanDerWaalsContact O-N 3.1Å; E194-K197 WeakPolarHBondContact OE2-CD 3.46Å; E194-K197 IonicContact OE2-NZ 3.63Å; E194-K197 PolarHBondContact OE2-NZ 3.5Å; L195-K197 PolarHBondContact O-N 3.48Å
198	Q	94.9	Very high	94.6	Very high	105 Å²	105	79 Å²	79	49%	0.491	42%	0.423	S	S	.	.	H	α-helix	trans	-79.6	-30.2	-173	-63.8	-161.6	23.1	0	0	113.3	E194 L195 W206	E194-Q198 PolarHBondContact O-N 3.3Å; E194-Q198 PolarHBondContact OE1-NE2 2.88Å; L195-Q198 PolarHBondContact O-N 3.32Å; Q198-W206 HydrophobicContact CB-CZ2 4.4Å; Q198-W206 VanDerWaalsContact CD-CZ2 3.45Å; Q198-W206 HydrophobicContact CG-CZ2 4.18Å
199	K	94.5	Very high	94.5	Very high	170 Å²	170	79.7 Å²	79.7	74%	0.739	43%	0.427	S	S	*	.			trans	46.7	55.4	-178.9	-58.1	-178.7	-178.6	176.6	0	112.8	L195 C196	L195-K199 PolarHBondContact O-N 3.23Å; C196-K199 WeakPolarHBondContact O-CE 3.47Å; C196-K199 WeakPolarHBondContact O-CG 3.14Å
200	P	94.8	Very high	94.5	Very high	31 Å²	31	76.2 Å²	76.2	20%	0.201	41%	0.406	C	S	.	.			trans	-63.8	157.2	-179.7	31.4	-38.4	0	0	0	111.4	L195 D202 W206	L195-P200 HydrophobicContact CD1-CG 3.49Å; L195-P200 VanDerWaalsContact CD1-CG 3.49Å; P200-D202 VanDerWaalsContact C-N 3.25Å; P200-D202 PolarHBondContact O-N 2.8Å; P200-W206 HydrophobicContact CB-CB 3.99Å; P200-W206 HydrophobicContact CB-CG 3.86Å; P200-W206 HydrophobicContact CG-CB 3.62Å; P200-W206 HydrophobicContact CG-CD2 3.95Å; P200-W206 HydrophobicContact CG-CE3 4.48Å; P200-W206 HydrophobicContact CG-CG 3.53Å
201	V	93.6	Very high	94.4	Very high	157 Å²	157	75.7 Å²	75.7	95%	0.952	40%	0.398	S	S	*	.	S	Bend	trans	-61.7	-34.9	179.7	-178.8	0	0	0	0	111.9	P203	V201-P203 WeakPolarHBondContact O-CD 3.4Å
202	D	95.6	Very high	94.1	Very high	76 Å²	76	79.7 Å²	79.7	41%	0.406	42%	0.422	S	S	.	.			trans	-117.6	91.6	172.1	-174.7	-11.4	0	0	0	110.5	P200 F204 T205 W206	P200-D202 VanDerWaalsContact C-N 3.25Å; P200-D202 PolarHBondContact O-N 2.8Å; D202-F204 VanDerWaalsContact C-N 3.28Å; D202-F204 PolarHBondContact O-N 3.09Å; D202-F204 PolarHBondContact OD1-N 3.17Å; D202-F204 VanDerWaalsContact OD1-N 3.14Å; D202-T205 VanDerWaalsContact CG-OG1 3.27Å; D202-T205 PolarHBondContact OD1-N 3.49Å; D202-T205 VanDerWaalsContact OD1-N 3.13Å; D202-T205 PolarHBondContact OD1-OG1 3.04Å; D202-T205 VanDerWaalsContact OD2-CB 3.23Å; D202-T205 WeakPolarHBondContact OD2-CB 3.42Å; D202-T205 PolarHBondContact OD2-OG1 3.08Å; D202-W206 WeakPolarHBondContact O-CB 3.26Å; D202-W206 PolarHBondContact O-N 3.19Å; D202-W206 VanDerWaalsContact O-N 3.13Å
203	P	93.1	Very high	93.8	Very high	55 Å²	55	84.9 Å²	84.9	36%	0.357	44%	0.437	S	S	.	.	H	α-helix	trans	-61.8	-31.4	-179.8	-26.7	36.5	0	0	0	114.7	L195 V201 L207	L195-P203 HydrophobicContact CD1-CB 3.78Å; L195-P203 HydrophobicContact CD2-CB 4.1Å; L195-P203 HydrophobicContact CG-CB 4.37Å; V201-P203 WeakPolarHBondContact O-CD 3.4Å; P203-L207 WeakPolarHBondContact O-CB 3.24Å; P203-L207 PolarHBondContact O-N 3.03Å
204	F	92.3	Very high	93.5	Very high	177 Å²	177	85.5 Å²	85.5	78%	0.776	44%	0.437	S	S	*	.	H	α-helix	trans	-75.7	-51.4	-174.9	-68.9	-73.6	0	0	0	110.9	D202 W206 L207 A208	D202-F204 VanDerWaalsContact C-N 3.28Å; D202-F204 PolarHBondContact O-N 3.09Å; D202-F204 PolarHBondContact OD1-N 3.17Å; D202-F204 VanDerWaalsContact OD1-N 3.14Å; F204-W206 VanDerWaalsContact C-N 3.31Å; F204-W206 PolarHBondContact O-N 3.22Å; F204-L207 PolarHBondContact O-N 3.25Å; F204-A208 WeakPolarHBondContact O-CB 3.49Å; F204-A208 PolarHBondContact O-N 3.21Å
205	T	92.8	Very high	93	Very high	74 Å²	74	86.3 Å²	86.3	45%	0.454	44%	0.443	S	S	.	.	H	α-helix	trans	-63.2	-42.2	178.3	-56.8	0	0	0	0	110.5	D202 L207 A208 D209	D202-T205 VanDerWaalsContact CG-OG1 3.27Å; D202-T205 PolarHBondContact OD1-N 3.49Å; D202-T205 VanDerWaalsContact OD1-N 3.13Å; D202-T205 PolarHBondContact OD1-OG1 3.04Å; D202-T205 VanDerWaalsContact OD2-CB 3.23Å; D202-T205 WeakPolarHBondContact OD2-CB 3.42Å; D202-T205 PolarHBondContact OD2-OG1 3.08Å; T205-L207 PolarHBondContact O-N 3.32Å; T205-A208 PolarHBondContact O-N 3.41Å; T205-D209 PolarHBondContact O-N 2.96Å
206	W	96.7	Very high	92.4	Very high	50 Å²	50	89.5 Å²	89.5	19%	0.189	47%	0.466	C	S	.	.	H	α-helix	trans	-61.3	-45	177.3	-174.9	101.1	0	0	0	112.2	E194 L195 Q198 P200 D202 F204 D209 W210	E194-W206 HydrophobicContact CB-CH2 3.82Å; E194-W206 HydrophobicContact CG-CH2 3.63Å; E194-W206 HydrophobicContact CG-CZ2 4.18Å; L195-W206 HydrophobicContact CB-CE3 4.03Å; L195-W206 HydrophobicContact CB-CZ3 3.72Å; L195-W206 HydrophobicContact CD1-CD2 4.12Å; L195-W206 HydrophobicContact CD1-CE3 3.44Å; L195-W206 VanDerWaalsContact CD1-CE3 3.44Å; L195-W206 HydrophobicContact CD1-CZ3 4.04Å; L195-W206 HydrophobicContact CG-CE3 4.34Å; Q198-W206 HydrophobicContact CB-CZ2 4.4Å; Q198-W206 VanDerWaalsContact CD-CZ2 3.45Å; Q198-W206 HydrophobicContact CG-CZ2 4.18Å; P200-W206 HydrophobicContact CB-CB 3.99Å; P200-W206 HydrophobicContact CB-CG 3.86Å; P200-W206 HydrophobicContact CG-CB 3.62Å; P200-W206 HydrophobicContact CG-CD2 3.95Å; P200-W206 HydrophobicContact CG-CE3 4.48Å; P200-W206 HydrophobicContact CG-CG 3.53Å; D202-W206 WeakPolarHBondContact O-CB 3.26Å; D202-W206 PolarHBondContact O-N 3.19Å; D202-W206 VanDerWaalsContact O-N 3.13Å; F204-W206 VanDerWaalsContact C-N 3.31Å; F204-W206 PolarHBondContact O-N 3.22Å; W206-D209 PolarHBondContact O-N 3.46Å; W206-W210 HydrophobicContact CE3-CB 4.17Å; W206-W210 HydrophobicContact CH2-CB 4.09Å; W206-W210 AromaticContact CH2-CD1 3.22Å; W206-W210 AromaticContact CH2-CG 3.74Å; W206-W210 HydrophobicContact CH2-CG 3.74Å; W206-W210 AromaticContact CH2-NE1 3.88Å; W206-W210 AromaticContact CZ2-CD1 3.71Å; W206-W210 HydrophobicContact CZ2-CG 4.44Å; W206-W210 HydrophobicContact CZ3-CB 3.85Å; W206-W210 AromaticContact CZ3-CD1 3.84Å; W206-W210 AromaticContact CZ3-CG 3.87Å; W206-W210 HydrophobicContact CZ3-CG 3.87Å; W206-W210 VanDerWaalsContact O-CB 3.31Å; W206-W210 WeakPolarHBondContact O-CB 3.46Å; W206-W210 PolarHBondContact O-N 2.78Å
207	L	94.7	Very high	91.4	Very high	27 Å²	27	90.9 Å²	90.9	14%	0.141	47%	0.467	C	S	.	.	H	α-helix	trans	-67.5	-39.9	179.7	-179	63.3	0	0	0	111.3	G191 L192 L195 P203 F204 T205 W210 L211	G191-L207 VanDerWaalsContact C-CD1 3.49Å; L192-L207 HydrophobicContact CD2-CD2 3.71Å; L192-L207 HydrophobicContact CG-CD2 4.44Å; L195-L207 HydrophobicContact CD2-CB 4.34Å; L195-L207 HydrophobicContact CD2-CD2 4.29Å; P203-L207 WeakPolarHBondContact O-CB 3.24Å; P203-L207 PolarHBondContact O-N 3.03Å; F204-L207 PolarHBondContact O-N 3.25Å; T205-L207 PolarHBondContact O-N 3.32Å; L207-W210 PolarHBondContact O-N 3.34Å; L207-L211 HydrophobicContact CD1-CD1 4.32Å; L207-L211 HydrophobicContact CD1-CG 4.19Å; L207-L211 HydrophobicContact CG-CD1 4.02Å; L207-L211 HydrophobicContact CG-CG 4.33Å; L207-L211 WeakPolarHBondContact O-CB 3.39Å; L207-L211 VanDerWaalsContact O-CG 3.23Å; L207-L211 WeakPolarHBondContact O-CG 3.4Å; L207-L211 PolarHBondContact O-N 3.08Å
208	A	92.3	Very high	90.4	Very high	52 Å²	52	90.2 Å²	90.2	43%	0.43	46%	0.464	S	S	.	.	H	α-helix	trans	-58.7	-50.1	175.7	0	0	0	0	0	111.2	F204 T205 W210 L211 V212	F204-A208 WeakPolarHBondContact O-CB 3.49Å; F204-A208 PolarHBondContact O-N 3.21Å; T205-A208 PolarHBondContact O-N 3.41Å; A208-W210 VanDerWaalsContact C-N 3.33Å; A208-W210 PolarHBondContact O-N 3.16Å; A208-L211 PolarHBondContact O-N 3.36Å; A208-V212 WeakPolarHBondContact O-CG2 3.27Å; A208-V212 PolarHBondContact O-N 3.06Å
209	D	92.4	Very high	88.4	Confident	74 Å²	74	90.3 Å²	90.3	40%	0.396	47%	0.474	S	S	.	.	H	α-helix	trans	-60	-43.1	176.1	-80	-7	0	0	0	112	T205 W206 L211 V212 R213	T205-D209 PolarHBondContact O-N 2.96Å; W206-D209 PolarHBondContact O-N 3.46Å; D209-L211 PolarHBondContact O-N 3.11Å; D209-V212 PolarHBondContact O-N 3.01Å; D209-R213 WeakPolarHBondContact O-CG 3.18Å; D209-R213 PolarHBondContact O-N 2.99Å; D209-R213 IonicContact OD2-NH2 3.05Å
210	W	94.3	Very high	86.5	Confident	43 Å²	43	89.7 Å²	89.7	16%	0.163	47%	0.473	C	S	.	.	H	α-helix	trans	-60.6	-46.1	178.2	-170.5	99.4	0	0	0	111.2	T187 G191 W206 L207 A208 V212 R213 N214	T187-W210 HydrophobicContact CG2-CZ3 4.09Å; T187-W210 WeakPolarHBondContact O-CZ3 3.3Å; G191-W210 VanDerWaalsContact N-CZ3 3.31Å; W206-W210 HydrophobicContact CE3-CB 4.17Å; W206-W210 HydrophobicContact CH2-CB 4.09Å; W206-W210 AromaticContact CH2-CD1 3.22Å; W206-W210 AromaticContact CH2-CG 3.74Å; W206-W210 HydrophobicContact CH2-CG 3.74Å; W206-W210 AromaticContact CH2-NE1 3.88Å; W206-W210 AromaticContact CZ2-CD1 3.71Å; W206-W210 HydrophobicContact CZ2-CG 4.44Å; W206-W210 HydrophobicContact CZ3-CB 3.85Å; W206-W210 AromaticContact CZ3-CD1 3.84Å; W206-W210 AromaticContact CZ3-CG 3.87Å; W206-W210 HydrophobicContact CZ3-CG 3.87Å; W206-W210 VanDerWaalsContact O-CB 3.31Å; W206-W210 WeakPolarHBondContact O-CB 3.46Å; W206-W210 PolarHBondContact O-N 2.78Å; L207-W210 PolarHBondContact O-N 3.34Å; A208-W210 VanDerWaalsContact C-N 3.33Å; A208-W210 PolarHBondContact O-N 3.16Å; W210-V212 PolarHBondContact O-N 2.88Å; W210-R213 PolarHBondContact O-N 2.75Å; W210-N214 HydrophobicContact CD2-CB 4.39Å; W210-N214 HydrophobicContact CE3-CB 4.07Å; W210-N214 HydrophobicContact CH2-CB 3.82Å; W210-N214 HydrophobicContact CZ2-CB 4.2Å; W210-N214 HydrophobicContact CZ3-CB 3.75Å; W210-N214 WeakPolarHBondContact O-CB 3.29Å; W210-N214 PolarHBondContact O-N 3.27Å; W210-N214 PolarHBondContact O-ND2 2.95Å
211	L	92.8	Very high	84.3	Confident	52 Å²	52	94.9 Å²	94.9	27%	0.272	50%	0.498	S	S	.	.	H	α-helix	trans	-64.6	-39.4	178.9	-71.1	170.8	0	0	0	111.9	T187 L188 L207 A208 D209 N214 N215	T187-L211 HydrophobicContact CG2-CD2 4.01Å; L188-L211 HydrophobicContact CD1-CD1 4.16Å; L188-L211 HydrophobicContact CD1-CD2 4.41Å; L207-L211 HydrophobicContact CD1-CD1 4.32Å; L207-L211 HydrophobicContact CD1-CG 4.19Å; L207-L211 HydrophobicContact CG-CD1 4.02Å; L207-L211 HydrophobicContact CG-CG 4.33Å; L207-L211 WeakPolarHBondContact O-CB 3.39Å; L207-L211 VanDerWaalsContact O-CG 3.23Å; L207-L211 WeakPolarHBondContact O-CG 3.4Å; L207-L211 PolarHBondContact O-N 3.08Å; A208-L211 PolarHBondContact O-N 3.36Å; D209-L211 PolarHBondContact O-N 3.11Å; L211-N214 CarbonylContact O-C 3.56Å; L211-N214 PolarHBondContact O-N 3.02Å; L211-N215 WeakPolarHBondContact O-CB 3.18Å; L211-N215 PolarHBondContact O-N 3.09Å; L211-N215 VanDerWaalsContact O-N 3.09Å
212	V	89.3	Confident	82	Confident	84 Å²	84	95.7 Å²	95.7	51%	0.509	49%	0.489	S	S	.	.	H	α-helix	trans	-64.6	-41.7	176.6	171.7	0	0	0	0	111.4	A208 D209 W210	A208-V212 WeakPolarHBondContact O-CG2 3.27Å; A208-V212 PolarHBondContact O-N 3.06Å; D209-V212 PolarHBondContact O-N 3.01Å; W210-V212 PolarHBondContact O-N 2.88Å
213	R	89.8	Confident	79.6	Confident	183 Å²	183	99 Å²	99	69%	0.691	51%	0.507	S	S	*	.	H	α-helix	trans	-70.9	-33	178.7	-70.3	175.7	-165.6	146.9	11.6	113	D209 W210	D209-R213 WeakPolarHBondContact O-CG 3.18Å; D209-R213 PolarHBondContact O-N 2.99Å; D209-R213 IonicContact OD2-NH2 3.05Å; W210-R213 PolarHBondContact O-N 2.75Å
214	N	89.6	Confident	77	Confident	79 Å²	79	99.7 Å²	99.7	42%	0.422	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	21.7	-176.5	-65.4	-86.3	0	0	0	112.8	T187 W210 L211 P216	T187-N214 WeakPolarHBondContact CG2-O 3.38Å; W210-N214 HydrophobicContact CD2-CB 4.39Å; W210-N214 HydrophobicContact CE3-CB 4.07Å; W210-N214 HydrophobicContact CH2-CB 3.82Å; W210-N214 HydrophobicContact CZ2-CB 4.2Å; W210-N214 HydrophobicContact CZ3-CB 3.75Å; W210-N214 WeakPolarHBondContact O-CB 3.29Å; W210-N214 PolarHBondContact O-N 3.27Å; W210-N214 PolarHBondContact O-ND2 2.95Å; L211-N214 CarbonylContact O-C 3.56Å; L211-N214 PolarHBondContact O-N 3.02Å; N214-P216 VanDerWaalsContact O-CD 3.26Å; N214-P216 WeakPolarHBondContact O-CD 3.48Å
215	N	84.6	Confident	74.4	Confident	66 Å²	66	96.1 Å²	96.1	35%	0.353	53%	0.527	S	S	.	.			trans	-73	113.4	178.7	-176.6	-8.2	0	0	0	110.2	L211 N217 K218	L211-N215 WeakPolarHBondContact O-CB 3.18Å; L211-N215 PolarHBondContact O-N 3.09Å; L211-N215 VanDerWaalsContact O-N 3.09Å; N215-N217 PolarHBondContact O-N 3.01Å; N215-N217 VanDerWaalsContact O-N 3.14Å; N215-N217 WeakPolarHBondContact OD1-CB 3.34Å; N215-N217 PolarHBondContact OD1-N 2.86Å; N215-K218 HydrophobicContact CB-CB 4.15Å; N215-K218 PolarHBondContact O-N 3.3Å
216	P	82.4	Confident	71.9	Confident	93 Å²	93	98.9 Å²	98.9	60%	0.604	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-15.2	-178.1	29.5	-36.2	0	0	0	113.3	N214	N214-P216 VanDerWaalsContact O-CD 3.26Å; N214-P216 WeakPolarHBondContact O-CD 3.48Å
217	N	75.1	Confident	69.1	Low	122 Å²	122	100.4 Å²	100.4	65%	0.652	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-1.2	-179.4	-55.8	-60.9	0	0	0	113.1	N215	N215-N217 PolarHBondContact O-N 3.01Å; N215-N217 VanDerWaalsContact O-N 3.14Å; N215-N217 WeakPolarHBondContact OD1-CB 3.34Å; N215-N217 PolarHBondContact OD1-N 2.86Å
218	K	72.2	Confident	66.6	Low	124 Å²	124	108.1 Å²	108.1	54%	0.539	61%	0.61	S	S	.	*	S	Bend	trans	-98.4	128.7	177.3	-156.7	177.3	-175.4	-173.9	0	109.1	N215 Q220	N215-K218 HydrophobicContact CB-CB 4.15Å; N215-K218 PolarHBondContact O-N 3.3Å; K218-Q220 PolarHBondContact O-N 3.21Å
219	P	54.6	Low	64.1	Low	108 Å²	108	115.1 Å²	115.1	70%	0.701	63%	0.634	S	S	*	*			trans	-62	131.2	174.9	22.8	-30.3	0	0	0	110.1	I221	P219-I221 PolarHBondContact O-N 2.92Å
220	Q	54.6	Low	61.4	Low	157 Å²	157	116.6 Å²	116.6	73%	0.734	66%	0.657	S	S	*	*			trans	-79	105.5	173	-67.6	-175.3	7.9	0	0	108.5	K218 F222	K218-Q220 PolarHBondContact O-N 3.21Å; Q220-F222 HydrophobicContact CB-CD2 4.43Å; Q220-F222 HydrophobicContact CB-CE2 4.25Å; Q220-F222 PolarHBondContact O-N 3.41Å
221	I	48.5	Very low	58.7	Low	139 Å²	139	123 Å²	123	71%	0.713	72%	0.719	S	S	*	*			trans	-81	106.3	169.9	-55.2	178.3	0	0	0	106.1	P219 D223	P219-I221 PolarHBondContact O-N 2.92Å; I221-D223 PolarHBondContact O-N 3.13Å
222	F	43.8	Very low	57	Low	174 Å²	174	126.6 Å²	126.6	76%	0.763	74%	0.741	S	S	*	*			trans	-80.7	103.1	166.3	-83.8	-88.6	0	0	0	107.6	Q220 G224	Q220-F222 HydrophobicContact CB-CD2 4.43Å; Q220-F222 HydrophobicContact CB-CE2 4.25Å; Q220-F222 PolarHBondContact O-N 3.41Å; F222-G224 PolarHBondContact O-N 3.2Å; F222-G224 VanDerWaalsContact O-N 3.07Å
223	D	45.6	Very low	55.4	Low	146 Å²	146	128.8 Å²	128.8	78%	0.781	75%	0.754	S	S	*	*			trans	-68.9	103.9	164.4	-72.3	-27.6	0	0	0	107.1	I221 A225	I221-D223 PolarHBondContact O-N 3.13Å; D223-A225 PolarHBondContact O-N 3.4Å
224	G	39.1	Very low	53.4	Low	70 Å²	70	125.8 Å²	125.8	72%	0.722	76%	0.757	S	S	*	*			trans	-63.5	99	173.8	0	0	0	0	0	109.5	F222 T226	F222-G224 PolarHBondContact O-N 3.2Å; F222-G224 VanDerWaalsContact O-N 3.07Å; G224-T226 PolarHBondContact O-N 3.31Å
225	A	37.6	Very low	51.3	Low	101 Å²	101	128.6 Å²	128.6	84%	0.835	78%	0.777	S	S	*	*			trans	-63.3	103.3	162.8	0	0	0	0	0	107.6	D223 G227	D223-A225 PolarHBondContact O-N 3.4Å; A225-G227 PolarHBondContact O-N 2.95Å
226	T	40.5	Very low	49.2	Very low	133 Å²	133	132.5 Å²	132.5	82%	0.816	80%	0.803	S	S	*	*			trans	-55.6	123.7	166.1	43.7	0	0	0	0	108.7	G224 E228	G224-T226 PolarHBondContact O-N 3.31Å; T226-E228 PolarHBondContact O-N 3.12Å
227	G	37.2	Very low	47	Very low	81 Å²	81	135.1 Å²	135.1	84%	0.835	82%	0.816	S	S	*	*			trans	-61.1	122.1	177.4	0	0	0	0	0	111.8	A225	A225-G227 PolarHBondContact O-N 2.95Å
228	E	42.4	Very low	45	Very low	190 Å²	190	136.1 Å²	136.1	89%	0.888	83%	0.828	S	S	*	*			trans	-96.4	108.2	150.4	-81.2	-177.3	152.8	0	0	107	T226	T226-E228 PolarHBondContact O-N 3.12Å
229	E	39.9	Very low	42.9	Very low	199 Å²	199	137 Å²	137	93%	0.93	85%	0.85	S	S	*	*			trans	-176.8	93.8	143.6	-104.6	177.1	-171	0	0	108
230	A	35.7	Very low	41.9	Very low	105 Å²	105	139.4 Å²	139.4	87%	0.868	86%	0.863	S	S	*	*			trans	-124.9	106.7	155	0	0	0	0	0	106.5
231	A	38.4	Very low	40.8	Very low	178 Å²	178	137.8 Å²	137.8	100%	1.471	88%	0.875	S	S	*	*			trans	-75.2	0	159.3	0	0	0	0	0	110

Retrieved 231 of 231 residues in 115.7 ms (Link to these results)

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