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E3 ubiquitin-protein ligase RNF166

E3 ubiquitin-protein ligase that promotes the ubiquitination of different substrates¹. In turn, participates in different biological processes including interferon production or autophagy^2,3. Plays a role in the activation of RNA virus-induced interferon-beta production by promoting the ubiquitination of TRAF3 and TRAF6⁴. Also plays a role in the early recruitment of autophagy adapters to bacteria⁵. Mediates 'Lys-29' and 'Lys-33'-linked ubiquitination of SQSTM1 leading to xenophagic targeting of bacteria and inhibition of their replication⁶.

AlphaFold DB , UniProt , Accession Q96A37, Species HUMAN (Homo sapiens, Human), Gene RNF166, Length 237 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	34.3	Very low	37.2	Very low	245 Å²	245	150 Å²	150	100%	1.207	86%	0.856	S	S	*	*				0	112.3	0	-70.2	-175.3	-174.8	0	0	108.8
2	A	37.4	Very low	37.1	Very low	102 Å²	102	152.3 Å²	152.3	84%	0.843	85%	0.853	S	S	*	*			trans	-155.7	95	160	0	0	0	0	0	106.5
3	M	44	Very low	37	Very low	180 Å²	180	154.9 Å²	154.9	89%	0.887	86%	0.855	S	S	*	*			trans	-75.4	145.7	-179.2	-58.7	-74.6	-139.4	0	0	109.9	R5	M3-R5 PolarHBondContact O-N 2.98Å
4	F	38.9	Very low	36.5	Very low	205 Å²	205	161.2 Å²	161.2	90%	0.899	86%	0.859	S	S	*	*			trans	-48.7	124.7	-177.7	-77.1	-104.3	0	0	0	114.1	S6	F4-S6 PolarHBondContact O-N 3.43Å
5	R	42.2	Very low	36.2	Very low	229 Å²	229	162.1 Å²	162.1	86%	0.864	86%	0.856	S	S	*	*			trans	-82.7	107.2	163.4	-81.9	-177.6	161.9	-179.5	-4.9	109.1	M3 L7	M3-R5 PolarHBondContact O-N 2.98Å; R5-L7 PolarHBondContact O-N 3.43Å
6	S	35.9	Very low	36.1	Very low	122 Å²	122	159.2 Å²	159.2	85%	0.853	85%	0.85	S	S	*	*			trans	-74.4	115.9	163.8	-63.9	0	0	0	0	108.5	F4	F4-S6 PolarHBondContact O-N 3.43Å
7	L	39	Very low	35.8	Very low	130 Å²	130	157.4 Å²	157.4	68%	0.681	85%	0.848	S	S	*	*			trans	-125.8	111.3	177.8	-94.5	166.8	0	0	0	108.1	R5	R5-L7 PolarHBondContact O-N 3.43Å
8	V	32	Very low	35.5	Very low	132 Å²	132	154.4 Å²	154.4	80%	0.8	85%	0.85	S	S	*	*			trans	50.8	149.4	135.6	-53	0	0	0	0	118.6
9	A	31.8	Very low	35.3	Very low	83 Å²	83	149.6 Å²	149.6	69%	0.686	84%	0.838	S	S	*	*			cis	-171.4	155.6	-7.5	0	0	0	0	0	106.7
10	S	33.2	Very low	35.3	Very low	113 Å²	113	148.7 Å²	148.7	79%	0.79	84%	0.839	S	S	*	*			trans	38.7	86.7	143.3	-49.9	0	0	0	0	118.6	Q12	S10-Q12 VanDerWaalsContact C-N 3.34Å; S10-Q12 PolarHBondContact O-N 2.82Å; S10-Q12 VanDerWaalsContact O-N 3.16Å
11	A	40	Very low	35.1	Very low	109 Å²	109	147.2 Å²	147.2	90%	0.901	85%	0.846	S	S	*	*			trans	-81.6	85.8	156.6	0	0	0	0	0	109.3	Q13	A11-Q13 PolarHBondContact O-N 3.17Å
12	Q	36.8	Very low	34.8	Very low	177 Å²	177	138.3 Å²	138.3	83%	0.827	82%	0.817	S	S	*	*			trans	-59.4	126.9	170.7	-156.5	162.2	-32	0	0	109.3	S10 R14	S10-Q12 VanDerWaalsContact C-N 3.34Å; S10-Q12 PolarHBondContact O-N 2.82Å; S10-Q12 VanDerWaalsContact O-N 3.16Å; Q12-R14 PolarHBondContact O-N 3.26Å
13	Q	35.9	Very low	34.5	Very low	187 Å²	187	137 Å²	137	87%	0.874	81%	0.813	S	S	*	*			trans	-53.2	98.5	179.8	-166.1	160	-9.4	0	0	111.1	A11 Q15	A11-Q13 PolarHBondContact O-N 3.17Å; Q13-Q15 PolarHBondContact O-N 2.83Å
14	R	28.8	Very low	34.8	Very low	243 Å²	243	133.7 Å²	133.7	92%	0.917	80%	0.799	S	S	*	*			trans	-72.9	105.9	170.8	-77.4	-172.7	177.7	-162.3	-0.1	108.5	Q12	Q12-R14 PolarHBondContact O-N 3.26Å
15	Q	32.8	Very low	35.5	Very low	175 Å²	175	128 Å²	128	82%	0.818	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-58	138.4	158.7	-79.2	174.7	-28	0	0	109	Q13	Q13-Q15 PolarHBondContact O-N 2.83Å
16	P	33.8	Very low	36.8	Very low	115 Å²	115	119.2 Å²	119.2	75%	0.747	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-66.5	148.1	176.8	27.6	-31.9	0	0	0	110.2	A18	P16-A18 PolarHBondContact O-N 2.99Å
17	P	31.2	Very low	38.7	Very low	128 Å²	128	115.5 Å²	115.5	83%	0.831	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-64.1	135.4	-175.2	26.7	-32.4	0	0	0	110.2	G19	P17-G19 PolarHBondContact O-N 3.25Å
18	A	30.7	Very low	40.8	Very low	105 Å²	105	111.1 Å²	111.1	87%	0.868	71%	0.711	S	S	*	*			trans	-55.7	105.2	172.4	0	0	0	0	0	109.5	P16	P16-A18 PolarHBondContact O-N 2.99Å
19	G	32.3	Very low	43.2	Very low	62 Å²	62	108.1 Å²	108.1	64%	0.639	70%	0.701	S	S	*	*			trans	-63.7	161.6	170.2	0	0	0	0	0	111.5	P17	P17-G19 PolarHBondContact O-N 3.25Å
20	P	34.3	Very low	46	Very low	132 Å²	132	110.8 Å²	110.8	86%	0.857	70%	0.699	S	S	*	*			trans	-66.9	138.5	-162.9	27.1	-33.2	0	0	0	112.4	G22	P20-G22 PolarHBondContact O-N 3.45Å
21	A	31.3	Very low	49	Very low	118 Å²	118	106.4 Å²	106.4	98%	0.975	67%	0.665	S	S	*	*			trans	-59.9	102.7	173.5	0	0	0	0	0	110.9
22	G	28.7	Very low	51.6	Low	58 Å²	58	102.9 Å²	102.9	60%	0.598	63%	0.632	S	S	*	*			trans	-140	121.9	170.5	0	0	0	0	0	109.3	P20	P20-G22 PolarHBondContact O-N 3.45Å
23	G	31.1	Very low	54.5	Low	73 Å²	73	94.4 Å²	94.4	75%	0.753	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	159.7	-161.1	0	0	0	0	0	117.4	S25	G23-S25 PolarHBondContact O-N 3Å
24	D	49.3	Very low	57.3	Low	112 Å²	112	87.7 Å²	87.7	60%	0.599	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	59.8	-10.1	172.4	-147.3	57.4	0	0	0	117.9	G26 L27 P97	D24-G26 VanDerWaalsContact C-N 3.27Å; D24-G26 PolarHBondContact O-N 3.22Å; D24-L27 WeakPolarHBondContact O-CD2 3.38Å; D24-P97 VanDerWaalsContact OD2-CD 3.31Å; D24-P97 WeakPolarHBondContact OD2-CD 3.39Å; D24-P97 WeakPolarHBondContact OD2-CG 3.15Å
25	S	55	Low	60.6	Low	85 Å²	85	79.6 Å²	79.6	59%	0.594	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-4.6	176.1	-59	0	0	0	0	114.1	G23 L27 A29	G23-S25 PolarHBondContact O-N 3Å; S25-L27 PolarHBondContact O-N 3.27Å; S25-A29 PolarHBondContact O-N 2.98Å
26	G	68.1	Low	63.6	Low	44 Å²	44	73.3 Å²	73.3	45%	0.454	51%	0.514	S	S	.	.	H	α-helix	trans	-70.8	-25.3	-170.5	0	0	0	0	0	115.3	D24 Q30	D24-G26 VanDerWaalsContact C-N 3.27Å; D24-G26 PolarHBondContact O-N 3.22Å; G26-Q30 WeakPolarHBondContact O-CG 3.45Å; G26-Q30 PolarHBondContact O-NE2 2.97Å
27	L	77.2	Confident	66.4	Low	44 Å²	44	74.2 Å²	74.2	23%	0.23	51%	0.512	C	S	.	.	H	α-helix	trans	-81.3	-40.6	180	52.4	150.1	0	0	0	112.3	D24 S25 A29 Q30 Y31 K95 A96	D24-L27 WeakPolarHBondContact O-CD2 3.38Å; S25-L27 PolarHBondContact O-N 3.27Å; L27-A29 VanDerWaalsContact C-N 3.32Å; L27-A29 PolarHBondContact O-N 3.15Å; L27-Q30 PolarHBondContact O-N 3.3Å; L27-Y31 VanDerWaalsContact O-CD2 3.25Å; L27-Y31 WeakPolarHBondContact O-CD2 3.3Å; L27-K95 VanDerWaalsContact CD1-O 3.29Å; L27-K95 WeakPolarHBondContact CD1-O 3.39Å; L27-A96 HydrophobicContact CD1-CB 3.63Å; L27-A96 HydrophobicContact CG-CB 4.23Å
28	E	81.7	Confident	69.4	Low	38 Å²	38	71 Å²	71	18%	0.178	49%	0.486	C	S	.	.	H	α-helix	trans	-62	-43.9	176.8	-171.9	169.1	134	0	0	110.2	Q30 Y31 T32 V39 R99	E28-Q30 PolarHBondContact O-N 3.3Å; E28-Y31 CarbonylContact O-C 3.52Å; E28-Y31 PolarHBondContact O-N 2.85Å; E28-T32 PolarHBondContact O-N 2.87Å; E28-T32 PolarHBondContact O-OG1 3.28Å; E28-V39 HydrophobicContact CG-CG2 3.66Å; E28-R99 IonicContact OE1-NH1 3.55Å
29	A	83.7	Confident	72.4	Confident	70 Å²	70	66.3 Å²	66.3	58%	0.579	45%	0.447	S	S	*	.	H	α-helix	trans	-57	-33.2	179.6	0	0	0	0	0	114.1	S25 L27 Y31	S25-A29 PolarHBondContact O-N 2.98Å; L27-A29 VanDerWaalsContact C-N 3.32Å; L27-A29 PolarHBondContact O-N 3.15Å; A29-Y31 VanDerWaalsContact C-N 3.3Å; A29-Y31 PolarHBondContact O-N 3.11Å
30	Q	89.9	Confident	75.5	Confident	138 Å²	138	64.9 Å²	64.9	65%	0.645	42%	0.422	S	S	*	.	H	α-helix	trans	-71.6	-25	177.6	-70.4	170.2	45.7	0	0	112.9	G26 L27 E28	G26-Q30 WeakPolarHBondContact O-CG 3.45Å; G26-Q30 PolarHBondContact O-NE2 2.97Å; L27-Q30 PolarHBondContact O-N 3.3Å; E28-Q30 PolarHBondContact O-N 3.3Å
31	Y	95.5	Very high	78.4	Confident	22 Å²	22	61.8 Å²	61.8	9%	0.086	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	26.5	-176.8	-63.2	-73.7	0	0	0	112.6	L27 E28 A29 V39 Y40 V87 Q90 L91 Y94 L107	L27-Y31 VanDerWaalsContact O-CD2 3.25Å; L27-Y31 WeakPolarHBondContact O-CD2 3.3Å; E28-Y31 CarbonylContact O-C 3.52Å; E28-Y31 PolarHBondContact O-N 2.85Å; A29-Y31 VanDerWaalsContact C-N 3.3Å; A29-Y31 PolarHBondContact O-N 3.11Å; Y31-V39 WeakPolarHBondContact O-CA 3.28Å; Y31-Y40 WeakPolarHBondContact O-CD2 3.48Å; Y31-Y40 PolarHBondContact O-N 3.22Å; Y31-V87 HydrophobicContact CD1-CG1 4.21Å; Y31-Q90 HydrophobicContact CE1-CB 3.69Å; Y31-Q90 HydrophobicContact CE1-CG 4.43Å; Y31-Q90 PolarHBondContact OH-NE2 3Å; Y31-L91 HydrophobicContact CD1-CD2 4.19Å; Y31-L91 HydrophobicContact CG-CD2 4.08Å; Y31-Y94 AromaticContact CE2-CD2 3.94Å; Y31-Y94 HydrophobicContact CE2-CD2 3.94Å; Y31-Y94 HydrophobicContact CE2-CE2 4.3Å; Y31-Y94 VanDerWaalsContact OH-CE2 3.29Å; Y31-Y94 WeakPolarHBondContact OH-CE2 3.35Å; Y31-L107 HydrophobicContact CD2-CD1 3.55Å; Y31-L107 HydrophobicContact CE2-CD1 4.24Å; Y31-L107 HydrophobicContact CG-CD1 4.06Å
32	T	95.7	Very high	81.5	Confident	34 Å²	34	63.9 Å²	63.9	21%	0.209	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-94.2	134.1	179.2	-66.6	0	0	0	0	111.5	E28 L37 E38 Y40	E28-T32 PolarHBondContact O-N 2.87Å; E28-T32 PolarHBondContact O-OG1 3.28Å; T32-L37 VanDerWaalsContact CG2-C 3.48Å; T32-E38 CarbonylContact C-O 3.58Å; T32-E38 WeakPolarHBondContact CA-O 3.47Å; T32-Y40 VanDerWaalsContact O-CZ 3.3Å; T32-Y40 PolarHBondContact O-OH 3.37Å; T32-Y40 VanDerWaalsContact O-OH 3.14Å
33	C	97	Very high	84.8	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	35%	0.351	C	S	.	.			trans	-74.5	129.1	173.4	-178.8	0	0	0	0	111	I35 L37 E38 Y40 C54	C33-I35 PolarHBondContact O-N 2.82Å; C33-L37 WeakPolarHBondContact O-CA 3.44Å; C33-L37 PolarHBondContact O-N 3.34Å; C33-E38 PolarHBondContact N-O 2.93Å; C33-Y40 VanDerWaalsContact CA-CE1 3.41Å; C33-Y40 HydrophobicContact CB-CD1 3.65Å; C33-Y40 HydrophobicContact CB-CE1 3.69Å; C33-C54 VanDerWaalsContact CB-SG 3.58Å; C33-C54 PolarHBondContact SG-N 3.11Å; C33-C54 VanDerWaalsContact SG-N 3.4Å; C33-C54 VanDerWaalsContact SG-SG 3.69Å
34	P	96.3	Very high	88	Confident	46 Å²	46	58.8 Å²	58.8	30%	0.299	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-13.4	-178.4	31.4	-40.6	0	0	0	114.2	F53 L71	P34-F53 HydrophobicContact CG-CD1 3.5Å; P34-F53 HydrophobicContact CG-CE1 3.37Å; P34-F53 HydrophobicContact CG-CZ 4.45Å; P34-L71 HydrophobicContact CB-CD1 4.26Å; P34-L71 HydrophobicContact CB-CD2 3.65Å; P34-L71 HydrophobicContact CB-CG 4.15Å; P34-L71 HydrophobicContact CG-CD1 3.77Å; P34-L71 HydrophobicContact CG-CD2 4Å; P34-L71 HydrophobicContact CG-CG 3.91Å
35	I	96.6	Very high	90.3	Very high	73 Å²	73	54.6 Å²	54.6	37%	0.374	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-50.4	179.3	-62.9	168.8	0	0	0	110.8	C33 F53 C57 P70	C33-I35 PolarHBondContact O-N 2.82Å; I35-F53 HydrophobicContact CD1-CB 4.23Å; I35-F53 HydrophobicContact CD1-CD1 3.43Å; I35-F53 VanDerWaalsContact CD1-CD1 3.43Å; I35-F53 HydrophobicContact CD1-CE1 4.07Å; I35-F53 HydrophobicContact CD1-CG 4.06Å; I35-F53 HydrophobicContact CG1-CD1 3.76Å; I35-F53 HydrophobicContact CG1-CE1 4.17Å; I35-C57 HydrophobicContact CB-CB 3.87Å; I35-C57 HydrophobicContact CD1-CB 3.71Å; I35-C57 HydrophobicContact CG1-CB 4.39Å; I35-C57 HydrophobicContact CG2-CB 3.8Å; I35-P70 HydrophobicContact CD1-CB 4.49Å; I35-P70 HydrophobicContact CD1-CG 4.21Å
36	C	95.4	Very high	92.3	Very high	43 Å²	43	50.6 Å²	50.6	29%	0.291	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-8.1	-176.8	70.5	0	0	0	0	114.3	E38	C36-E38 PolarHBondContact O-N 3.03Å
37	L	93.6	Very high	93.6	Very high	133 Å²	133	51.1 Å²	51.1	70%	0.696	28%	0.28	S	S	*	.	S	Bend	trans	58	24.2	-177.4	-51.3	-179.8	0	0	0	114.3	T32 C33	T32-L37 VanDerWaalsContact CG2-C 3.48Å; C33-L37 WeakPolarHBondContact O-CA 3.44Å; C33-L37 PolarHBondContact O-N 3.34Å
38	E	93.6	Very high	94.5	Very high	62 Å²	62	52.7 Å²	52.7	29%	0.29	30%	0.295	S	S	.	.	S	Bend	trans	-114.9	166.5	173.2	-58.5	-171.2	160.6	0	0	111.1	T32 C33 C36 Y40 R111	T32-E38 CarbonylContact C-O 3.58Å; T32-E38 WeakPolarHBondContact CA-O 3.47Å; C33-E38 PolarHBondContact N-O 2.93Å; C36-E38 PolarHBondContact O-N 3.03Å; E38-Y40 PolarHBondContact O-N 3.03Å; E38-R111 IonicContact OE2-CZ 3.44Å; E38-R111 IonicContact OE2-NE 2.82Å; E38-R111 PolarHBondContact OE2-NE 2.78Å; E38-R111 IonicContact OE2-NH2 3.7Å
39	V	94.8	Very high	95.2	Very high	6 Å²	6	52.4 Å²	52.4	4%	0.036	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-50.7	136.8	168.9	-178.7	0	0	0	0	110.5	E28 Y31 H41 L91 L107 M110 R111	E28-V39 HydrophobicContact CG-CG2 3.66Å; Y31-V39 WeakPolarHBondContact O-CA 3.28Å; V39-H41 PolarHBondContact O-N 2.88Å; V39-L91 HydrophobicContact CG1-CD2 3.6Å; V39-L107 HydrophobicContact CG1-CB 4.12Å; V39-L107 HydrophobicContact CG2-CD2 4.33Å; V39-M110 HydrophobicContact CG2-CB 4.22Å; V39-M110 HydrophobicContact CG2-CG 4.15Å; V39-R111 PolarHBondContact O-NH2 3.34Å
40	Y	96.9	Very high	95.8	Very high	32 Å²	32	51.5 Å²	51.5	13%	0.125	29%	0.293	C	S	.	.			trans	-51.1	136.1	179.3	-73.2	-62.7	0	0	0	113	Y31 T32 C33 E38 P43 T52 V87	Y31-Y40 WeakPolarHBondContact O-CD2 3.48Å; Y31-Y40 PolarHBondContact O-N 3.22Å; T32-Y40 VanDerWaalsContact O-CZ 3.3Å; T32-Y40 PolarHBondContact O-OH 3.37Å; T32-Y40 VanDerWaalsContact O-OH 3.14Å; C33-Y40 VanDerWaalsContact CA-CE1 3.41Å; C33-Y40 HydrophobicContact CB-CD1 3.65Å; C33-Y40 HydrophobicContact CB-CE1 3.69Å; E38-Y40 PolarHBondContact O-N 3.03Å; Y40-P43 HydrophobicContact CD1-CB 4.23Å; Y40-P43 HydrophobicContact CG-CB 4.18Å; Y40-T52 HydrophobicContact CD1-CG2 4.32Å; Y40-T52 HydrophobicContact CE1-CG2 3.91Å; Y40-T52 WeakPolarHBondContact CE1-O 3.3Å; Y40-T52 HydrophobicContact CE2-CG2 4.47Å; Y40-T52 PolarHBondContact OH-O 3.06Å; Y40-V87 HydrophobicContact CD2-CG1 4.04Å
41	H	95.6	Very high	96.2	Very high	67 Å²	67	48 Å²	48	31%	0.31	28%	0.277	S	S	.	.	S	Bend	trans	-123.7	122.5	170.5	178.7	-107.3	0	0	0	109	V39 C54 E56	V39-H41 PolarHBondContact O-N 2.88Å; H41-C54 PolarHBondContact N-SG 2.86Å; H41-C54 WeakPolarHBondContact O-CA 3.45Å; H41-C54 VanDerWaalsContact O-CB 3.3Å; H41-C54 WeakPolarHBondContact O-CB 3.5Å; H41-E56 IonicContact CE1-OE1 3.85Å; H41-E56 IonicContact ND1-OE1 3.97Å; H41-E56 IonicContact ND1-OE2 3.9Å
42	R	95.8	Very high	96.3	Very high	161 Å²	161	48 Å²	48	61%	0.608	28%	0.279	S	S	*	.	S	Bend	trans	46	60.4	-175.4	-58.3	179.6	68.6	156	0.1	111.7	G55	R42-G55 PolarHBondContact O-N 3.09Å
43	P	97.5	Very high	96.4	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.013	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	142.6	-171.1	27	-34.9	0	0	0	113.2	Y40 T52 F53 A84 V87 E88 L91	Y40-P43 HydrophobicContact CD1-CB 4.23Å; Y40-P43 HydrophobicContact CG-CB 4.18Å; P43-T52 HydrophobicContact CB-CG2 3.74Å; P43-F53 CarbonylContact C-O 3.46Å; P43-F53 WeakPolarHBondContact CA-O 3.42Å; P43-A84 HydrophobicContact CB-CB 4.08Å; P43-A84 HydrophobicContact CG-CB 4.3Å; P43-A84 PolarHBondContact O-N 3.35Å; P43-V87 HydrophobicContact CB-CG1 4.38Å; P43-V87 HydrophobicContact CG-CB 4.23Å; P43-V87 HydrophobicContact CG-CG1 4.09Å; P43-E88 HydrophobicContact CG-CG 3.6Å; P43-L91 HydrophobicContact CG-CD1 4.22Å
44	V	98.3	Very high	96.5	Very high	23 Å²	23	46.3 Å²	46.3	14%	0.139	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	146.4	175.3	-66.9	0	0	0	0	109.7	T52 F53 L58 V81 D82	V44-T52 CarbonylContact O-C 3.51Å; V44-T52 VanDerWaalsContact O-CA 3.31Å; V44-T52 WeakPolarHBondContact O-CA 3.19Å; V44-F53 PolarHBondContact N-O 3.22Å; V44-F53 PolarHBondContact O-N 3.07Å; V44-L58 HydrophobicContact CG2-CB 4.14Å; V44-L58 HydrophobicContact CG2-CD2 3.72Å; V44-V81 HydrophobicContact CB-CG1 3.99Å; V44-V81 HydrophobicContact CG2-CG1 4.2Å; V44-D82 CarbonylContact C-O 3.59Å; V44-D82 VanDerWaalsContact CA-O 3.26Å; V44-D82 WeakPolarHBondContact CA-O 3.16Å
45	A	98.1	Very high	96.5	Very high	24 Å²	24	45.2 Å²	45.2	20%	0.198	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	138.4	179.8	0	0	0	0	0	110.9	H51 D82 A84	A45-H51 WeakPolarHBondContact CA-O 3.3Å; A45-D82 PolarHBondContact N-O 3.12Å; A45-D82 PolarHBondContact O-N 3.19Å; A45-D82 VanDerWaalsContact O-N 3.11Å; A45-A84 HydrophobicContact CB-CB 4.29Å
46	I	97.9	Very high	96.5	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	119.3	173.7	-61.1	173.7	0	0	0	108.4	S48 C49 G50 H51 F53 L58 C69 F76 V81	I46-S48 VanDerWaalsContact C-N 3.32Å; I46-S48 PolarHBondContact O-N 3.47Å; I46-C49 PolarHBondContact O-N 3.31Å; I46-G50 WeakPolarHBondContact O-CA 3.21Å; I46-G50 PolarHBondContact O-N 2.94Å; I46-H51 PolarHBondContact N-O 3.18Å; I46-F53 HydrophobicContact CD1-CD2 4.37Å; I46-F53 HydrophobicContact CD1-CE2 3.76Å; I46-F53 HydrophobicContact CG1-CE2 4.33Å; I46-L58 HydrophobicContact CD1-CD1 4.31Å; I46-L58 HydrophobicContact CD1-CD2 4.41Å; I46-L58 HydrophobicContact CG1-CD2 4.04Å; I46-C69 HydrophobicContact CD1-CB 3.94Å; I46-F76 HydrophobicContact CD1-CD1 3.92Å; I46-F76 HydrophobicContact CD1-CD2 4.49Å; I46-F76 HydrophobicContact CD1-CE1 3.8Å; I46-F76 HydrophobicContact CD1-CE2 4.41Å; I46-F76 HydrophobicContact CD1-CG 4.26Å; I46-F76 HydrophobicContact CD1-CZ 4.06Å; I46-F76 HydrophobicContact CG1-CD2 4.39Å; I46-F76 HydrophobicContact CG1-CE2 4.4Å; I46-F76 HydrophobicContact CG2-CB 3.48Å; I46-F76 VanDerWaalsContact CG2-CB 3.48Å; I46-F76 HydrophobicContact CG2-CD1 4.17Å; I46-F76 HydrophobicContact CG2-CD2 3.83Å; I46-F76 HydrophobicContact CG2-CG 3.56Å; I46-V81 HydrophobicContact CG1-CG2 4.37Å
47	G	95.6	Very high	96.5	Very high	55 Å²	55	47 Å²	47	57%	0.567	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-31.7	-172.7	0	0	0	0	0	115.3	K80	G47-K80 PolarHBondContact N-O 2.92Å
48	S	95.1	Very high	96.7	Very high	77 Å²	77	40.7 Å²	40.7	54%	0.538	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-30	-177.4	57.1	0	0	0	0	114.3	I46 F76	I46-S48 VanDerWaalsContact C-N 3.32Å; I46-S48 PolarHBondContact O-N 3.47Å; S48-F76 WeakPolarHBondContact OG-CB 3.29Å
49	C	96.8	Very high	96.7	Very high	32 Å²	32	41.8 Å²	41.8	22%	0.216	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-10.1	-176.3	66.9	0	0	0	0	114.7	I46 H51 C69 L74	I46-C49 PolarHBondContact O-N 3.31Å; C49-H51 PolarHBondContact O-N 3.32Å; C49-H51 PolarHBondContact SG-ND1 3.32Å; C49-C69 VanDerWaalsContact SG-SG 3.7Å; C49-L74 HydrophobicContact CB-CD1 4.29Å
50	G	95.8	Very high	96.5	Very high	50 Å²	50	45.1 Å²	45.1	52%	0.515	27%	0.265	S	S	.	.			trans	75	-2.1	177.4	0	0	0	0	0	115.7	I46	I46-G50 WeakPolarHBondContact O-CA 3.21Å; I46-G50 PolarHBondContact O-N 2.94Å
51	H	98	Very high	96.2	Very high	64 Å²	64	45.3 Å²	45.3	30%	0.296	27%	0.271	S	S	.	.			trans	-67.2	137.6	179.2	-70.9	122.3	0	0	0	112	A45 I46 C49 F53 L71 C72	A45-H51 WeakPolarHBondContact CA-O 3.3Å; I46-H51 PolarHBondContact N-O 3.18Å; C49-H51 PolarHBondContact O-N 3.32Å; C49-H51 PolarHBondContact SG-ND1 3.32Å; H51-F53 HydrophobicContact CB-CE2 3.72Å; H51-F53 HydrophobicContact CB-CZ 3.93Å; H51-L71 HydrophobicContact CB-CB 4.46Å; H51-L71 HydrophobicContact CB-CD1 3.89Å; H51-L71 VanDerWaalsContact CD2-CD1 3.47Å; H51-L71 WeakPolarHBondContact CD2-CD1 3.25Å; H51-C72 PolarHBondContact ND1-SG 3.17Å; H51-C72 VanDerWaalsContact ND1-SG 3.44Å
52	T	98	Very high	96.1	Very high	22 Å²	22	45 Å²	45	14%	0.135	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	141.1	-173.6	-58.7	0	0	0	0	111.6	Y40 P43 V44 A84	Y40-T52 HydrophobicContact CD1-CG2 4.32Å; Y40-T52 HydrophobicContact CE1-CG2 3.91Å; Y40-T52 WeakPolarHBondContact CE1-O 3.3Å; Y40-T52 HydrophobicContact CE2-CG2 4.47Å; Y40-T52 PolarHBondContact OH-O 3.06Å; P43-T52 HydrophobicContact CB-CG2 3.74Å; V44-T52 CarbonylContact O-C 3.51Å; V44-T52 VanDerWaalsContact O-CA 3.31Å; V44-T52 WeakPolarHBondContact O-CA 3.19Å; T52-A84 HydrophobicContact CG2-CB 4.06Å
53	F	98.3	Very high	95.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	165.5	-178.1	-54.6	-85.5	0	0	0	110.5	P34 I35 P43 V44 I46 H51 L58 P70 L71	P34-F53 HydrophobicContact CG-CD1 3.5Å; P34-F53 HydrophobicContact CG-CE1 3.37Å; P34-F53 HydrophobicContact CG-CZ 4.45Å; I35-F53 HydrophobicContact CD1-CB 4.23Å; I35-F53 HydrophobicContact CD1-CD1 3.43Å; I35-F53 VanDerWaalsContact CD1-CD1 3.43Å; I35-F53 HydrophobicContact CD1-CE1 4.07Å; I35-F53 HydrophobicContact CD1-CG 4.06Å; I35-F53 HydrophobicContact CG1-CD1 3.76Å; I35-F53 HydrophobicContact CG1-CE1 4.17Å; P43-F53 CarbonylContact C-O 3.46Å; P43-F53 WeakPolarHBondContact CA-O 3.42Å; V44-F53 PolarHBondContact N-O 3.22Å; V44-F53 PolarHBondContact O-N 3.07Å; I46-F53 HydrophobicContact CD1-CD2 4.37Å; I46-F53 HydrophobicContact CD1-CE2 3.76Å; I46-F53 HydrophobicContact CG1-CE2 4.33Å; H51-F53 HydrophobicContact CB-CE2 3.72Å; H51-F53 HydrophobicContact CB-CZ 3.93Å; F53-L58 HydrophobicContact CB-CB 4.13Å; F53-L58 HydrophobicContact CD2-CD1 4.11Å; F53-L58 HydrophobicContact CD2-CD2 4.19Å; F53-L58 HydrophobicContact CE2-CD1 4.49Å; F53-L58 HydrophobicContact CG-CD1 4.45Å; F53-P70 HydrophobicContact CE1-CB 4Å; F53-P70 HydrophobicContact CE1-CG 4.18Å; F53-P70 HydrophobicContact CZ-CB 4.23Å; F53-P70 HydrophobicContact CZ-CG 4.22Å; F53-L71 HydrophobicContact CE1-CD1 4.01Å; F53-L71 HydrophobicContact CE1-CG 3.81Å; F53-L71 HydrophobicContact CZ-CB 4.14Å; F53-L71 HydrophobicContact CZ-CD1 3.86Å; F53-L71 HydrophobicContact CZ-CG 3.77Å
54	C	97.8	Very high	95.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	142.2	163.9	-57.2	0	0	0	0	109.6	C33 H41 E56 C57 L58 R111	C33-C54 VanDerWaalsContact CB-SG 3.58Å; C33-C54 PolarHBondContact SG-N 3.11Å; C33-C54 VanDerWaalsContact SG-N 3.4Å; C33-C54 VanDerWaalsContact SG-SG 3.69Å; H41-C54 PolarHBondContact N-SG 2.86Å; H41-C54 WeakPolarHBondContact O-CA 3.45Å; H41-C54 VanDerWaalsContact O-CB 3.3Å; H41-C54 WeakPolarHBondContact O-CB 3.5Å; C54-E56 VanDerWaalsContact C-N 3.3Å; C54-E56 PolarHBondContact O-N 2.92Å; C54-C57 HydrophobicContact CB-CB 3.97Å; C54-C57 PolarHBondContact O-N 3.01Å; C54-L58 PolarHBondContact O-N 3.04Å; C54-R111 PolarHBondContact SG-NH2 3.39Å; C54-R111 VanDerWaalsContact SG-NH2 3.36Å
55	G	96.7	Very high	94.7	Very high	23 Å²	23	51.3 Å²	51.3	24%	0.237	32%	0.322	C	S	.	.	H	α-helix	trans	-55.8	-44	178.7	0	0	0	0	0	113.1	R42 C57 L58 Q59	R42-G55 PolarHBondContact O-N 3.09Å; G55-C57 VanDerWaalsContact C-N 3.34Å; G55-C57 PolarHBondContact O-N 3.16Å; G55-L58 PolarHBondContact O-N 3.18Å; G55-Q59 PolarHBondContact O-N 3.42Å; G55-Q59 VanDerWaalsContact O-N 3.13Å
56	E	95.9	Very high	94.3	Very high	122 Å²	122	54.9 Å²	54.9	57%	0.57	35%	0.346	S	S	*	.	H	α-helix	trans	-65.3	-35.8	177	-69.4	164.5	-172.9	0	0	112.4	H41 C54 Q59	H41-E56 IonicContact CE1-OE1 3.85Å; H41-E56 IonicContact ND1-OE1 3.97Å; H41-E56 IonicContact ND1-OE2 3.9Å; C54-E56 VanDerWaalsContact C-N 3.3Å; C54-E56 PolarHBondContact O-N 2.92Å; E56-Q59 WeakPolarHBondContact O-CB 3.46Å; E56-Q59 PolarHBondContact O-N 2.97Å
57	C	97	Very high	94.1	Very high	32 Å²	32	55 Å²	55	22%	0.216	35%	0.346	C	S	.	.	H	α-helix	trans	-72.8	-33.4	-179.9	-66	0	0	0	0	112.9	I35 C54 G55	I35-C57 HydrophobicContact CB-CB 3.87Å; I35-C57 HydrophobicContact CD1-CB 3.71Å; I35-C57 HydrophobicContact CG1-CB 4.39Å; I35-C57 HydrophobicContact CG2-CB 3.8Å; C54-C57 HydrophobicContact CB-CB 3.97Å; C54-C57 PolarHBondContact O-N 3.01Å; G55-C57 VanDerWaalsContact C-N 3.34Å; G55-C57 PolarHBondContact O-N 3.16Å
58	L	96.6	Very high	94.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-82.7	-18.8	177.7	-170.6	63.2	0	0	0	112.4	V44 I46 F53 C54 G55 P60 C61 L62 P70 F76 V81	V44-L58 HydrophobicContact CG2-CB 4.14Å; V44-L58 HydrophobicContact CG2-CD2 3.72Å; I46-L58 HydrophobicContact CD1-CD1 4.31Å; I46-L58 HydrophobicContact CD1-CD2 4.41Å; I46-L58 HydrophobicContact CG1-CD2 4.04Å; F53-L58 HydrophobicContact CB-CB 4.13Å; F53-L58 HydrophobicContact CD2-CD1 4.11Å; F53-L58 HydrophobicContact CD2-CD2 4.19Å; F53-L58 HydrophobicContact CE2-CD1 4.49Å; F53-L58 HydrophobicContact CG-CD1 4.45Å; C54-L58 PolarHBondContact O-N 3.04Å; G55-L58 PolarHBondContact O-N 3.18Å; L58-P60 VanDerWaalsContact C-CD 3.49Å; L58-C61 HydrophobicContact CD1-CB 4.11Å; L58-C61 WeakPolarHBondContact O-CB 3.24Å; L58-C61 PolarHBondContact O-N 3.35Å; L58-L62 PolarHBondContact O-N 3.34Å; L58-P70 HydrophobicContact CD1-CG 4.23Å; L58-F76 HydrophobicContact CD1-CZ 4.47Å; L58-V81 HydrophobicContact CD2-CG1 3.8Å
59	Q	94.8	Very high	94.2	Very high	85 Å²	85	53.2 Å²	53.2	40%	0.397	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-51.6	-47.3	-173.5	-163.8	-81.4	-84	0	0	113.6	G55 E56 C61 L62 Q63	G55-Q59 PolarHBondContact O-N 3.42Å; G55-Q59 VanDerWaalsContact O-N 3.13Å; E56-Q59 WeakPolarHBondContact O-CB 3.46Å; E56-Q59 PolarHBondContact O-N 2.97Å; Q59-C61 PolarHBondContact O-N 3.07Å; Q59-L62 WeakPolarHBondContact O-CB 3.48Å; Q59-L62 PolarHBondContact O-N 3.42Å; Q59-Q63 VanDerWaalsContact NE2-CG 3.35Å
60	P	89.5	Confident	94.2	Very high	75 Å²	75	54.5 Å²	54.5	49%	0.487	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-58.6	-36.3	-180	-24.7	35.7	0	0	0	112.9	L58 L62 Q63	L58-P60 VanDerWaalsContact C-CD 3.49Å; P60-L62 PolarHBondContact O-N 2.86Å; P60-Q63 PolarHBondContact O-N 3.47Å
61	C	91.8	Very high	94.2	Very high	36 Å²	36	56.2 Å²	56.2	24%	0.243	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-65.6	-24.7	176.1	-59.5	0	0	0	0	112.5	L58 Q59 Q63 V64 P67	L58-C61 HydrophobicContact CD1-CB 4.11Å; L58-C61 WeakPolarHBondContact O-CB 3.24Å; L58-C61 PolarHBondContact O-N 3.35Å; Q59-C61 PolarHBondContact O-N 3.07Å; C61-Q63 VanDerWaalsContact C-N 3.26Å; C61-Q63 PolarHBondContact O-N 3.44Å; C61-V64 VanDerWaalsContact O-CG2 3.31Å; C61-V64 WeakPolarHBondContact O-CG2 3.23Å; C61-P67 WeakPolarHBondContact O-CB 3.38Å
62	L	92.4	Very high	94.2	Very high	62 Å²	62	55.2 Å²	55.2	33%	0.325	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-78.6	-10.1	179.1	-55.7	178.1	0	0	0	113.4	L58 Q59 P60 F76 P78 V81	L58-L62 PolarHBondContact O-N 3.34Å; Q59-L62 WeakPolarHBondContact O-CB 3.48Å; Q59-L62 PolarHBondContact O-N 3.42Å; P60-L62 PolarHBondContact O-N 2.86Å; L62-F76 HydrophobicContact CD2-CE2 3.73Å; L62-F76 HydrophobicContact CD2-CZ 4.06Å; L62-P78 HydrophobicContact CD2-CB 4.17Å; L62-V81 HydrophobicContact CD2-CG2 4Å
63	Q	88.9	Confident	94.1	Very high	115 Å²	115	63.8 Å²	63.8	54%	0.537	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-88.2	-8.6	-179.6	-70.6	175.8	-16.9	0	0	113.3	Q59 P60 C61	Q59-Q63 VanDerWaalsContact NE2-CG 3.35Å; P60-Q63 PolarHBondContact O-N 3.47Å; C61-Q63 VanDerWaalsContact C-N 3.26Å; C61-Q63 PolarHBondContact O-N 3.44Å
64	V	88.3	Confident	94	Very high	72 Å²	72	68.3 Å²	68.3	44%	0.436	38%	0.376	S	S	.	.	S	Bend	trans	-95.5	144.9	179.1	-58.8	0	0	0	0	111.3	C61 S66 P67	C61-V64 VanDerWaalsContact O-CG2 3.31Å; C61-V64 WeakPolarHBondContact O-CG2 3.23Å; V64-S66 VanDerWaalsContact C-N 3.32Å; V64-S66 PolarHBondContact O-N 3.38Å; V64-P67 HydrophobicContact CG2-CB 3.87Å
65	P	84.5	Confident	93.9	Very high	131 Å²	131	72.9 Å²	72.9	85%	0.851	41%	0.405	S	S	*	.	S	Bend	trans	-58.6	-36.2	-175.8	-27.6	35.1	0	0	0	115.2
66	S	90.3	Very high	93.9	Very high	99 Å²	99	72.6 Å²	72.6	69%	0.692	40%	0.398	S	S	*	.	S	Bend	trans	-128.1	80.7	-178	-65.4	0	0	0	0	110.1	V64	V64-S66 VanDerWaalsContact C-N 3.32Å; V64-S66 PolarHBondContact O-N 3.38Å
67	P	94.1	Very high	93.8	Very high	2 Å²	2	69.8 Å²	69.8	1%	0.013	39%	0.387	C	S	.	.			trans	-78.5	145.2	-172.5	36.6	-40.7	0	0	0	112.2	C61 V64 P75 F76 P78	C61-P67 WeakPolarHBondContact O-CB 3.38Å; V64-P67 HydrophobicContact CG2-CB 3.87Å; P67-P75 WeakPolarHBondContact O-CA 3.35Å; P67-F76 HydrophobicContact CB-CD1 4.36Å; P67-F76 HydrophobicContact CB-CE1 3.7Å; P67-F76 HydrophobicContact CB-CE2 4.26Å; P67-F76 HydrophobicContact CB-CZ 3.65Å; P67-F76 HydrophobicContact CG-CD1 4.25Å; P67-F76 HydrophobicContact CG-CD2 4.19Å; P67-F76 HydrophobicContact CG-CE1 3.97Å; P67-F76 HydrophobicContact CG-CE2 3.88Å; P67-F76 HydrophobicContact CG-CG 4.36Å; P67-F76 HydrophobicContact CG-CZ 3.78Å; P67-F76 VanDerWaalsContact CG-O 3.28Å; P67-F76 WeakPolarHBondContact CG-O 3.28Å; P67-F76 WeakPolarHBondContact O-CD1 3.45Å; P67-F76 PolarHBondContact O-N 3.19Å; P67-F76 VanDerWaalsContact O-N 3.13Å; P67-P78 HydrophobicContact CG-CG 3.89Å
68	L	95.6	Very high	93.7	Very high	93 Å²	93	70.5 Å²	70.5	49%	0.487	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-111.6	141.2	176.1	-56.2	-177.3	0	0	0	110.1	P70 P75	L68-P70 WeakPolarHBondContact O-CD 3.49Å; L68-P75 HydrophobicContact CD2-CB 3.98Å; L68-P75 HydrophobicContact CD2-CG 3.67Å
69	C	97.5	Very high	93.6	Very high	2 Å²	2	79.4 Å²	79.4	1%	0.014	43%	0.43	C	S	.	.			trans	-61	128.1	175.4	177	0	0	0	0	110.7	I46 C49 L71 C72 R73 L74 F76	I46-C69 HydrophobicContact CD1-CB 3.94Å; C49-C69 VanDerWaalsContact SG-SG 3.7Å; C69-L71 PolarHBondContact O-N 3.41Å; C69-L71 VanDerWaalsContact O-N 3.11Å; C69-L71 PolarHBondContact SG-N 3.28Å; C69-C72 VanDerWaalsContact CB-SG 3.57Å; C69-R73 WeakPolarHBondContact O-CA 3.44Å; C69-R73 PolarHBondContact O-N 3.15Å; C69-L74 PolarHBondContact N-O 2.85Å; C69-F76 HydrophobicContact CB-CD1 4.47Å
70	P	96.1	Very high	93.6	Very high	60 Å²	60	81.4 Å²	81.4	39%	0.39	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.9	178.9	-26.9	35.9	0	0	0	114.7	I35 F53 L58 L68	I35-P70 HydrophobicContact CD1-CB 4.49Å; I35-P70 HydrophobicContact CD1-CG 4.21Å; F53-P70 HydrophobicContact CE1-CB 4Å; F53-P70 HydrophobicContact CE1-CG 4.18Å; F53-P70 HydrophobicContact CZ-CB 4.23Å; F53-P70 HydrophobicContact CZ-CG 4.22Å; L58-P70 HydrophobicContact CD1-CG 4.23Å; L68-P70 WeakPolarHBondContact O-CD 3.49Å
71	L	95.8	Very high	94	Very high	85 Å²	85	79.1 Å²	79.1	45%	0.445	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-54.1	-179.2	-80.7	178.7	0	0	0	113.4	P34 H51 F53 C69	P34-L71 HydrophobicContact CB-CD1 4.26Å; P34-L71 HydrophobicContact CB-CD2 3.65Å; P34-L71 HydrophobicContact CB-CG 4.15Å; P34-L71 HydrophobicContact CG-CD1 3.77Å; P34-L71 HydrophobicContact CG-CD2 4Å; P34-L71 HydrophobicContact CG-CG 3.91Å; H51-L71 HydrophobicContact CB-CB 4.46Å; H51-L71 HydrophobicContact CB-CD1 3.89Å; H51-L71 VanDerWaalsContact CD2-CD1 3.47Å; H51-L71 WeakPolarHBondContact CD2-CD1 3.25Å; F53-L71 HydrophobicContact CE1-CD1 4.01Å; F53-L71 HydrophobicContact CE1-CG 3.81Å; F53-L71 HydrophobicContact CZ-CB 4.14Å; F53-L71 HydrophobicContact CZ-CD1 3.86Å; F53-L71 HydrophobicContact CZ-CG 3.77Å; C69-L71 PolarHBondContact O-N 3.41Å; C69-L71 VanDerWaalsContact O-N 3.11Å; C69-L71 PolarHBondContact SG-N 3.28Å
72	C	97.5	Very high	94.3	Very high	44 Å²	44	82.4 Å²	82.4	30%	0.297	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-2.6	-174.5	63.7	0	0	0	0	114.6	H51 C69 L74	H51-C72 PolarHBondContact ND1-SG 3.17Å; H51-C72 VanDerWaalsContact ND1-SG 3.44Å; C69-C72 VanDerWaalsContact CB-SG 3.57Å; C72-L74 HydrophobicContact CB-CG 4.37Å; C72-L74 PolarHBondContact O-N 2.92Å
73	R	96.3	Very high	94.5	Very high	202 Å²	202	86.5 Å²	86.5	76%	0.762	45%	0.452	S	S	*	.			trans	60.3	8.4	-179.2	-54.4	175.1	-179.3	-106.7	-0.7	115.2	C69	C69-R73 WeakPolarHBondContact O-CA 3.44Å; C69-R73 PolarHBondContact O-N 3.15Å
74	L	96.1	Very high	94.9	Very high	95 Å²	95	81.6 Å²	81.6	50%	0.497	43%	0.431	S	S	.	.			trans	-67.8	134.9	174.2	-66.6	176.2	0	0	0	110.1	C49 C69 C72	C49-L74 HydrophobicContact CB-CD1 4.29Å; C69-L74 PolarHBondContact N-O 2.85Å; C72-L74 HydrophobicContact CB-CG 4.37Å; C72-L74 PolarHBondContact O-N 2.92Å
75	P	96.1	Very high	95.2	Very high	95 Å²	95	82.1 Å²	82.1	62%	0.617	44%	0.435	S	S	*	.	B	Isolated β-bridge	trans	-57.9	144.9	169.5	-21	31	0	0	0	111.6	P67 L68	P67-P75 WeakPolarHBondContact O-CA 3.35Å; L68-P75 HydrophobicContact CD2-CB 3.98Å; L68-P75 HydrophobicContact CD2-CG 3.67Å
76	F	96.2	Very high	95.8	Very high	17 Å²	17	82 Å²	82	8%	0.075	42%	0.422	C	S	.	.			trans	-143	160.2	176.1	70.8	-87.5	0	0	0	112.1	I46 S48 L58 L62 P67 C69 V81	I46-F76 HydrophobicContact CD1-CD1 3.92Å; I46-F76 HydrophobicContact CD1-CD2 4.49Å; I46-F76 HydrophobicContact CD1-CE1 3.8Å; I46-F76 HydrophobicContact CD1-CE2 4.41Å; I46-F76 HydrophobicContact CD1-CG 4.26Å; I46-F76 HydrophobicContact CD1-CZ 4.06Å; I46-F76 HydrophobicContact CG1-CD2 4.39Å; I46-F76 HydrophobicContact CG1-CE2 4.4Å; I46-F76 HydrophobicContact CG2-CB 3.48Å; I46-F76 VanDerWaalsContact CG2-CB 3.48Å; I46-F76 HydrophobicContact CG2-CD1 4.17Å; I46-F76 HydrophobicContact CG2-CD2 3.83Å; I46-F76 HydrophobicContact CG2-CG 3.56Å; S48-F76 WeakPolarHBondContact OG-CB 3.29Å; L58-F76 HydrophobicContact CD1-CZ 4.47Å; L62-F76 HydrophobicContact CD2-CE2 3.73Å; L62-F76 HydrophobicContact CD2-CZ 4.06Å; P67-F76 HydrophobicContact CB-CD1 4.36Å; P67-F76 HydrophobicContact CB-CE1 3.7Å; P67-F76 HydrophobicContact CB-CE2 4.26Å; P67-F76 HydrophobicContact CB-CZ 3.65Å; P67-F76 HydrophobicContact CG-CD1 4.25Å; P67-F76 HydrophobicContact CG-CD2 4.19Å; P67-F76 HydrophobicContact CG-CE1 3.97Å; P67-F76 HydrophobicContact CG-CE2 3.88Å; P67-F76 HydrophobicContact CG-CG 4.36Å; P67-F76 HydrophobicContact CG-CZ 3.78Å; P67-F76 VanDerWaalsContact CG-O 3.28Å; P67-F76 WeakPolarHBondContact CG-O 3.28Å; P67-F76 WeakPolarHBondContact O-CD1 3.45Å; P67-F76 PolarHBondContact O-N 3.19Å; P67-F76 VanDerWaalsContact O-N 3.13Å; C69-F76 HydrophobicContact CB-CD1 4.47Å; F76-V81 HydrophobicContact CD2-CG2 3.82Å; F76-V81 HydrophobicContact CE2-CG2 3.56Å
77	D	94.9	Very high	96	Very high	63 Å²	63	78.3 Å²	78.3	34%	0.337	40%	0.396	S	S	.	.			trans	-86.7	120.5	175.2	178.6	-4.7	0	0	0	109.3	K79 K80	D77-K79 PolarHBondContact O-N 2.96Å; D77-K79 WeakPolarHBondContact OD1-CB 3.31Å; D77-K79 PolarHBondContact OD1-N 3.21Å; D77-K80 HydrophobicContact CB-CB 4.24Å; D77-K80 HydrophobicContact CB-CD 3.98Å; D77-K80 HydrophobicContact CB-CG 3.94Å; D77-K80 PolarHBondContact O-N 3.17Å
78	P	94.5	Very high	96.1	Very high	48 Å²	48	81.4 Å²	81.4	31%	0.312	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-51.8	-29.1	175.8	-20.1	23.8	0	0	0	114.1	L62 P67 K80	L62-P78 HydrophobicContact CD2-CB 4.17Å; P67-P78 HydrophobicContact CG-CG 3.89Å; P78-K80 VanDerWaalsContact C-N 3.26Å; P78-K80 PolarHBondContact O-N 3.26Å
79	K	94	Very high	96.1	Very high	186 Å²	186	84.2 Å²	84.2	81%	0.809	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-75.6	-15.1	179.5	-59.9	178.4	-177.7	174.9	0	113.1	D77 V81	D77-K79 PolarHBondContact O-N 2.96Å; D77-K79 WeakPolarHBondContact OD1-CB 3.31Å; D77-K79 PolarHBondContact OD1-N 3.21Å; K79-V81 VanDerWaalsContact C-N 3.35Å
80	K	95.4	Very high	96.1	Very high	128 Å²	128	86.3 Å²	86.3	56%	0.557	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-101.4	34.2	178.5	-60.1	-177.1	-174.1	177.3	0	111.7	G47 D77 P78	G47-K80 PolarHBondContact N-O 2.92Å; D77-K80 HydrophobicContact CB-CB 4.24Å; D77-K80 HydrophobicContact CB-CD 3.98Å; D77-K80 HydrophobicContact CB-CG 3.94Å; D77-K80 PolarHBondContact O-N 3.17Å; P78-K80 VanDerWaalsContact C-N 3.26Å; P78-K80 PolarHBondContact O-N 3.26Å
81	V	97.5	Very high	96	Very high	26 Å²	26	83.7 Å²	83.7	16%	0.158	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	113.9	174.6	178.2	0	0	0	0	108.2	V44 I46 L58 L62 F76 K79	V44-V81 HydrophobicContact CB-CG1 3.99Å; V44-V81 HydrophobicContact CG2-CG1 4.2Å; I46-V81 HydrophobicContact CG1-CG2 4.37Å; L58-V81 HydrophobicContact CD2-CG1 3.8Å; L62-V81 HydrophobicContact CD2-CG2 4Å; F76-V81 HydrophobicContact CD2-CG2 3.82Å; F76-V81 HydrophobicContact CE2-CG2 3.56Å; K79-V81 VanDerWaalsContact C-N 3.35Å
82	D	97.3	Very high	96	Very high	106 Å²	106	83.2 Å²	83.2	57%	0.567	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.8	156.9	-171.6	-68.7	-66.7	0	0	0	111.7	V44 A45 A84	V44-D82 CarbonylContact C-O 3.59Å; V44-D82 VanDerWaalsContact CA-O 3.26Å; V44-D82 WeakPolarHBondContact CA-O 3.16Å; A45-D82 PolarHBondContact N-O 3.12Å; A45-D82 PolarHBondContact O-N 3.19Å; A45-D82 VanDerWaalsContact O-N 3.11Å; D82-A84 PolarHBondContact O-N 3.36Å
83	K	97.5	Very high	95.9	Very high	147 Å²	147	85.6 Å²	85.6	64%	0.639	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.5	130.6	173.5	-65.5	-178	-176.9	174.3	0	110.3	T85	K83-T85 VanDerWaalsContact C-N 3.27Å; K83-T85 HydrophobicContact CB-CG2 4.46Å; K83-T85 PolarHBondContact O-N 2.82Å
84	A	96.8	Very high	95.8	Very high	12 Å²	12	81.5 Å²	81.5	10%	0.099	42%	0.417	C	S	.	.			trans	-82.2	68.3	179.8	0	0	0	0	0	111.4	P43 A45 T52 D82 H86 V87 E88	P43-A84 HydrophobicContact CB-CB 4.08Å; P43-A84 HydrophobicContact CG-CB 4.3Å; P43-A84 PolarHBondContact O-N 3.35Å; A45-A84 HydrophobicContact CB-CB 4.29Å; T52-A84 HydrophobicContact CG2-CB 4.06Å; D82-A84 PolarHBondContact O-N 3.36Å; A84-H86 VanDerWaalsContact C-N 3.25Å; A84-H86 PolarHBondContact O-N 2.96Å; A84-V87 HydrophobicContact CB-CB 4.07Å; A84-V87 HydrophobicContact CB-CG2 3.98Å; A84-V87 WeakPolarHBondContact O-CB 3.46Å; A84-V87 PolarHBondContact O-N 2.95Å; A84-E88 PolarHBondContact O-N 2.95Å
85	T	96	Very high	95.8	Very high	84 Å²	84	83.6 Å²	83.6	52%	0.515	42%	0.422	S	S	.	.	H	α-helix	trans	-58	-32.5	-173.3	59.5	0	0	0	0	114.1	K83 E88 K89	K83-T85 VanDerWaalsContact C-N 3.27Å; K83-T85 HydrophobicContact CB-CG2 4.46Å; K83-T85 PolarHBondContact O-N 2.82Å; T85-E88 PolarHBondContact O-N 3.47Å; T85-K89 WeakPolarHBondContact O-CG 3.29Å; T85-K89 PolarHBondContact O-N 3.31Å; T85-K89 VanDerWaalsContact O-N 3.16Å
86	H	95.3	Very high	95.7	Very high	127 Å²	127	79.2 Å²	79.2	59%	0.588	39%	0.394	S	S	*	.	H	α-helix	trans	-63.5	-44.7	174.8	-176.6	71.5	0	0	0	111.6	A84 K89 Q90	A84-H86 VanDerWaalsContact C-N 3.25Å; A84-H86 PolarHBondContact O-N 2.96Å; H86-K89 PolarHBondContact O-N 3.46Å; H86-Q90 PolarHBondContact CD2-OE1 3.42Å; H86-Q90 PolarHBondContact NE2-NE2 2.84Å; H86-Q90 VanDerWaalsContact NE2-NE2 3.16Å; H86-Q90 WeakPolarHBondContact O-CG 3.25Å; H86-Q90 PolarHBondContact O-N 3.34Å; H86-Q90 VanDerWaalsContact O-N 3.12Å
87	V	96	Very high	95.6	Very high	22 Å²	22	80 Å²	80	13%	0.133	40%	0.401	C	S	.	.	H	α-helix	trans	-66.2	-41	178.5	-176.9	0	0	0	0	110.5	Y31 Y40 P43 A84 K89 Q90 L91	Y31-V87 HydrophobicContact CD1-CG1 4.21Å; Y40-V87 HydrophobicContact CD2-CG1 4.04Å; P43-V87 HydrophobicContact CB-CG1 4.38Å; P43-V87 HydrophobicContact CG-CB 4.23Å; P43-V87 HydrophobicContact CG-CG1 4.09Å; A84-V87 HydrophobicContact CB-CB 4.07Å; A84-V87 HydrophobicContact CB-CG2 3.98Å; A84-V87 WeakPolarHBondContact O-CB 3.46Å; A84-V87 PolarHBondContact O-N 2.95Å; V87-K89 VanDerWaalsContact C-N 3.33Å; V87-K89 PolarHBondContact O-N 3.44Å; V87-Q90 PolarHBondContact O-N 3.39Å; V87-L91 HydrophobicContact CG1-CD1 4.18Å; V87-L91 HydrophobicContact CG1-CG 4.38Å; V87-L91 VanDerWaalsContact O-CG 3.29Å; V87-L91 WeakPolarHBondContact O-CG 3.13Å; V87-L91 PolarHBondContact O-N 3.21Å
88	E	95.8	Very high	95.6	Very high	67 Å²	67	77 Å²	77	31%	0.313	39%	0.385	S	S	.	.	H	α-helix	trans	-59.3	-40.7	175.6	-70.2	-174.5	147	0	0	113.1	P43 A84 T85 S92	P43-E88 HydrophobicContact CG-CG 3.6Å; A84-E88 PolarHBondContact O-N 2.95Å; T85-E88 PolarHBondContact O-N 3.47Å; E88-S92 PolarHBondContact O-N 3.18Å; E88-S92 PolarHBondContact O-OG 2.87Å
89	K	96.3	Very high	95.4	Very high	152 Å²	152	80 Å²	80	66%	0.661	39%	0.39	S	S	*	.	H	α-helix	trans	-65.1	-42.5	175.4	-72	175.5	-177.7	179.9	0	111.6	T85 H86 V87 S92 S93	T85-K89 WeakPolarHBondContact O-CG 3.29Å; T85-K89 PolarHBondContact O-N 3.31Å; T85-K89 VanDerWaalsContact O-N 3.16Å; H86-K89 PolarHBondContact O-N 3.46Å; V87-K89 VanDerWaalsContact C-N 3.33Å; V87-K89 PolarHBondContact O-N 3.44Å; K89-S92 PolarHBondContact O-N 3.05Å; K89-S93 PolarHBondContact O-N 3.16Å; K89-S93 PolarHBondContact O-OG 3.38Å
90	Q	95.9	Very high	95.3	Very high	47 Å²	47	71.7 Å²	71.7	22%	0.22	36%	0.357	C	S	.	.	H	α-helix	trans	-63	-45.5	176.9	-71.5	172.6	-45	0	0	111.7	Y31 H86 V87 S92 S93 Y94	Y31-Q90 HydrophobicContact CE1-CB 3.69Å; Y31-Q90 HydrophobicContact CE1-CG 4.43Å; Y31-Q90 PolarHBondContact OH-NE2 3Å; H86-Q90 PolarHBondContact CD2-OE1 3.42Å; H86-Q90 PolarHBondContact NE2-NE2 2.84Å; H86-Q90 VanDerWaalsContact NE2-NE2 3.16Å; H86-Q90 WeakPolarHBondContact O-CG 3.25Å; H86-Q90 PolarHBondContact O-N 3.34Å; H86-Q90 VanDerWaalsContact O-N 3.12Å; V87-Q90 PolarHBondContact O-N 3.39Å; Q90-S92 PolarHBondContact O-N 3.37Å; Q90-S93 PolarHBondContact O-N 3.5Å; Q90-Y94 HydrophobicContact CB-CD2 4.1Å; Q90-Y94 HydrophobicContact CB-CE2 3.94Å; Q90-Y94 HydrophobicContact CG-CE2 4.16Å; Q90-Y94 WeakPolarHBondContact O-CD2 3.45Å; Q90-Y94 PolarHBondContact O-N 3.33Å
91	L	95.9	Very high	95.3	Very high	5 Å²	5	68 Å²	68	3%	0.026	35%	0.346	C	S	.	.	H	α-helix	trans	-57.8	-30.5	176.2	-71.5	169.9	0	0	0	113.1	Y31 V39 P43 V87 T106 L107 A108	Y31-L91 HydrophobicContact CD1-CD2 4.19Å; Y31-L91 HydrophobicContact CG-CD2 4.08Å; V39-L91 HydrophobicContact CG1-CD2 3.6Å; P43-L91 HydrophobicContact CG-CD1 4.22Å; V87-L91 HydrophobicContact CG1-CD1 4.18Å; V87-L91 HydrophobicContact CG1-CG 4.38Å; V87-L91 VanDerWaalsContact O-CG 3.29Å; V87-L91 WeakPolarHBondContact O-CG 3.13Å; V87-L91 PolarHBondContact O-N 3.21Å; L91-T106 WeakPolarHBondContact O-CG2 3.05Å; L91-L107 HydrophobicContact CB-CB 4.42Å; L91-L107 HydrophobicContact CD2-CB 3.72Å; L91-L107 HydrophobicContact CD2-CD1 4.22Å; L91-L107 WeakPolarHBondContact O-CB 3.22Å; L91-L107 PolarHBondContact O-N 2.78Å; L91-A108 HydrophobicContact CB-CB 4.28Å; L91-A108 PolarHBondContact O-N 2.77Å
92	S	95.3	Very high	95.2	Very high	75 Å²	75	72.5 Å²	72.5	52%	0.524	37%	0.37	S	S	.	.	H	α-helix	trans	-79.3	-29.2	178.9	-59	0	0	0	0	112.9	E88 K89 Q90 T106	E88-S92 PolarHBondContact O-N 3.18Å; E88-S92 PolarHBondContact O-OG 2.87Å; K89-S92 PolarHBondContact O-N 3.05Å; Q90-S92 PolarHBondContact O-N 3.37Å; S92-T106 VanDerWaalsContact O-CG2 3.23Å; S92-T106 WeakPolarHBondContact O-CG2 3.5Å
93	S	94.8	Very high	95.1	Very high	94 Å²	94	74 Å²	74	66%	0.657	37%	0.371	S	S	*	.	H	α-helix	trans	-86.1	-38.2	-176.7	-63.1	0	0	0	0	113.2	K89 Q90	K89-S93 PolarHBondContact O-N 3.16Å; K89-S93 PolarHBondContact O-OG 3.38Å; Q90-S93 PolarHBondContact O-N 3.5Å
94	Y	95.4	Very high	95	Very high	116 Å²	116	74.9 Å²	74.9	46%	0.455	38%	0.375	S	S	.	.			trans	-84.8	145.7	-175.7	-63.8	-62.7	0	0	0	112.8	Y31 Q90 T106 L107	Y31-Y94 AromaticContact CE2-CD2 3.94Å; Y31-Y94 HydrophobicContact CE2-CD2 3.94Å; Y31-Y94 HydrophobicContact CE2-CE2 4.3Å; Y31-Y94 VanDerWaalsContact OH-CE2 3.29Å; Y31-Y94 WeakPolarHBondContact OH-CE2 3.35Å; Q90-Y94 HydrophobicContact CB-CD2 4.1Å; Q90-Y94 HydrophobicContact CB-CE2 3.94Å; Q90-Y94 HydrophobicContact CG-CE2 4.16Å; Q90-Y94 WeakPolarHBondContact O-CD2 3.45Å; Q90-Y94 PolarHBondContact O-N 3.33Å; Y94-T106 WeakPolarHBondContact O-CA 3.37Å; Y94-L107 PolarHBondContact O-N 3.14Å
95	K	94.9	Very high	94.9	Very high	139 Å²	139	75 Å²	75	60%	0.604	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	137.8	174.9	-65.7	179.1	-179.3	178	0	109.2	L27 V105	L27-K95 VanDerWaalsContact CD1-O 3.29Å; L27-K95 WeakPolarHBondContact CD1-O 3.39Å; K95-V105 WeakPolarHBondContact CA-O 3.3Å
96	A	94.1	Very high	94.9	Very high	2 Å²	2	72.6 Å²	72.6	2%	0.017	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	152.9	175.6	0	0	0	0	0	110	L27 K104 V105 L107 M110	L27-A96 HydrophobicContact CD1-CB 3.63Å; L27-A96 HydrophobicContact CG-CB 4.23Å; A96-K104 WeakPolarHBondContact O-CA 3.18Å; A96-V105 PolarHBondContact N-O 3.4Å; A96-V105 PolarHBondContact O-N 3.18Å; A96-L107 HydrophobicContact CB-CD2 3.75Å; A96-M110 HydrophobicContact CB-CE 3.97Å; A96-M110 WeakPolarHBondContact O-CE 3.2Å
97	P	94.5	Very high	94.9	Very high	35 Å²	35	66.6 Å²	66.6	23%	0.227	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	138.5	171.2	31.1	-34.6	0	0	0	111.1	D24 R99 K103	D24-P97 VanDerWaalsContact OD2-CD 3.31Å; D24-P97 WeakPolarHBondContact OD2-CD 3.39Å; D24-P97 WeakPolarHBondContact OD2-CG 3.15Å; P97-R99 PolarHBondContact O-N 3.06Å; P97-K103 WeakPolarHBondContact CA-O 3.29Å
98	C	94.1	Very high	94.9	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.346	C	S	.	.			trans	-66.5	129.1	170.7	175.1	0	0	0	0	110.8	G100 N102 K103 M110 H113	C98-G100 PolarHBondContact O-N 3.17Å; C98-G100 PolarHBondContact SG-N 3Å; C98-N102 WeakPolarHBondContact O-CA 3.46Å; C98-N102 PolarHBondContact O-N 3.44Å; C98-K103 PolarHBondContact N-O 2.95Å; C98-M110 HydrophobicContact CB-SD 4.47Å; C98-H113 VanDerWaalsContact CB-NE2 3.28Å; C98-H113 WeakPolarHBondContact CB-NE2 3.26Å; C98-H113 VanDerWaalsContact SG-CD2 3.58Å; C98-H113 PolarHBondContact SG-NE2 3.41Å
99	R	91.2	Very high	94.9	Very high	111 Å²	111	71.8 Å²	71.8	42%	0.419	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-22.5	174.3	64	-174.6	179.7	-111.4	4.4	116.1	E28 P97 I114 V120 Q123	E28-R99 IonicContact OE1-NH1 3.55Å; P97-R99 PolarHBondContact O-N 3.06Å; R99-I114 VanDerWaalsContact NH1-CD1 3.34Å; R99-V120 HydrophobicContact CG-CG2 4.32Å; R99-Q123 PolarHBondContact O-NE2 3.36Å
100	G	92.1	Very high	94.8	Very high	11 Å²	11	64.6 Å²	64.6	11%	0.113	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-61.5	177.6	0	0	0	0	0	113.3	C98 K119	C98-G100 PolarHBondContact O-N 3.17Å; C98-G100 PolarHBondContact SG-N 3Å; G100-K119 VanDerWaalsContact C-CB 3.45Å; G100-K119 WeakPolarHBondContact O-CB 2.98Å
101	C	95	Very high	94.6	Very high	49 Å²	49	65.1 Å²	65.1	33%	0.331	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	0.4	-171.9	71.5	0	0	0	0	115	K103 H113 K119	C101-K103 PolarHBondContact O-N 3.45Å; C101-K103 WeakPolarHBondContact SG-CB 3.46Å; C101-H113 VanDerWaalsContact SG-CE1 3.53Å; C101-H113 PolarHBondContact SG-NE2 2.92Å; C101-K119 HydrophobicContact CB-CB 4.2Å; C101-K119 HydrophobicContact CB-CG 4.18Å
102	N	94.2	Very high	94.5	Very high	122 Å²	122	69.9 Å²	69.9	65%	0.652	36%	0.359	S	S	*	.			trans	57.4	8.6	-175.4	-67.8	-45.3	0	0	0	115.9	C98 K104	C98-N102 WeakPolarHBondContact O-CA 3.46Å; C98-N102 PolarHBondContact O-N 3.44Å; N102-K104 PolarHBondContact O-N 3.16Å
103	K	95.4	Very high	94.5	Very high	138 Å²	138	67.9 Å²	67.9	60%	0.6	34%	0.341	S	S	*	.			trans	-66.1	131.3	173.9	-172.9	173.8	-178.7	173.7	0	109.9	P97 C98 C101 V105	P97-K103 WeakPolarHBondContact CA-O 3.29Å; C98-K103 PolarHBondContact N-O 2.95Å; C101-K103 PolarHBondContact O-N 3.45Å; C101-K103 WeakPolarHBondContact SG-CB 3.46Å; K103-V105 HydrophobicContact CB-CG2 4.46Å; K103-V105 HydrophobicContact CG-CG2 4.27Å; K103-V105 PolarHBondContact O-N 3.3Å
104	K	95.4	Very high	94.5	Very high	164 Å²	164	64.4 Å²	64.4	71%	0.713	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	116.1	172.7	-66.6	-172.4	179	-176.3	0	110	A96 N102	A96-K104 WeakPolarHBondContact O-CA 3.18Å; N102-K104 PolarHBondContact O-N 3.16Å
105	V	95.6	Very high	94.3	Very high	15 Å²	15	63.5 Å²	63.5	9%	0.091	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	140.2	-178.6	-178	0	0	0	0	109.2	K95 A96 K103 K109 M110 H113	K95-V105 WeakPolarHBondContact CA-O 3.3Å; A96-V105 PolarHBondContact N-O 3.4Å; A96-V105 PolarHBondContact O-N 3.18Å; K103-V105 HydrophobicContact CB-CG2 4.46Å; K103-V105 HydrophobicContact CG-CG2 4.27Å; K103-V105 PolarHBondContact O-N 3.3Å; V105-K109 HydrophobicContact CG1-CB 4.13Å; V105-M110 HydrophobicContact CB-CE 3.96Å; V105-M110 HydrophobicContact CB-SD 4.08Å; V105-M110 HydrophobicContact CG1-SD 4.37Å; V105-H113 HydrophobicContact CG1-CB 3.98Å; V105-H113 HydrophobicContact CG2-CB 4.3Å
106	T	96.5	Very high	94.3	Very high	34 Å²	34	61 Å²	61	21%	0.209	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	135.2	172.4	-59.8	0	0	0	0	109.9	L91 S92 Y94 A108 K109 M110	L91-T106 WeakPolarHBondContact O-CG2 3.05Å; S92-T106 VanDerWaalsContact O-CG2 3.23Å; S92-T106 WeakPolarHBondContact O-CG2 3.5Å; Y94-T106 WeakPolarHBondContact O-CA 3.37Å; T106-A108 HydrophobicContact CG2-CB 4.24Å; T106-A108 PolarHBondContact O-N 2.96Å; T106-K109 CarbonylContact O-C 3.33Å; T106-K109 WeakPolarHBondContact O-CA 3.27Å; T106-K109 PolarHBondContact O-N 3.25Å; T106-M110 PolarHBondContact O-N 2.99Å; T106-M110 VanDerWaalsContact O-N 3.16Å
107	L	95.6	Very high	94.4	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-55.3	-40.2	-175.4	-67.9	179.6	0	0	0	112.4	Y31 V39 L91 Y94 A96 K109 M110	Y31-L107 HydrophobicContact CD2-CD1 3.55Å; Y31-L107 HydrophobicContact CE2-CD1 4.24Å; Y31-L107 HydrophobicContact CG-CD1 4.06Å; V39-L107 HydrophobicContact CG1-CB 4.12Å; V39-L107 HydrophobicContact CG2-CD2 4.33Å; L91-L107 HydrophobicContact CB-CB 4.42Å; L91-L107 HydrophobicContact CD2-CB 3.72Å; L91-L107 HydrophobicContact CD2-CD1 4.22Å; L91-L107 WeakPolarHBondContact O-CB 3.22Å; L91-L107 PolarHBondContact O-N 2.78Å; Y94-L107 PolarHBondContact O-N 3.14Å; A96-L107 HydrophobicContact CB-CD2 3.75Å; L107-K109 PolarHBondContact O-N 3.34Å; L107-K109 VanDerWaalsContact O-N 3.11Å; L107-M110 VanDerWaalsContact O-CB 3.25Å; L107-M110 WeakPolarHBondContact O-CB 3.46Å; L107-M110 PolarHBondContact O-N 3.49Å
108	A	95	Very high	94.4	Very high	51 Å²	51	65.2 Å²	65.2	42%	0.421	35%	0.346	S	S	.	.	H	α-helix	trans	-57.4	-25.8	175.1	0	0	0	0	0	114.6	L91 T106	L91-A108 HydrophobicContact CB-CB 4.28Å; L91-A108 PolarHBondContact O-N 2.77Å; T106-A108 HydrophobicContact CG2-CB 4.24Å; T106-A108 PolarHBondContact O-N 2.96Å
109	K	95	Very high	94.5	Very high	146 Å²	146	70.2 Å²	70.2	64%	0.635	37%	0.368	S	S	*	.	H	α-helix	trans	-104.1	0.4	178.5	-64.9	-175.4	179.1	-179.9	0	113	V105 T106 L107 R111 V112 H113	V105-K109 HydrophobicContact CG1-CB 4.13Å; T106-K109 CarbonylContact O-C 3.33Å; T106-K109 WeakPolarHBondContact O-CA 3.27Å; T106-K109 PolarHBondContact O-N 3.25Å; L107-K109 PolarHBondContact O-N 3.34Å; L107-K109 VanDerWaalsContact O-N 3.11Å; K109-R111 PolarHBondContact O-N 2.84Å; K109-V112 PolarHBondContact O-N 3.19Å; K109-H113 PolarHBondContact O-N 3.05Å
110	M	94.2	Very high	94.6	Very high	1 Å²	1	65 Å²	65	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-62.5	-42.6	-172.7	-171	61.1	82.5	0	0	111.9	V39 A96 C98 V105 T106 L107 V112 H113 I114	V39-M110 HydrophobicContact CG2-CB 4.22Å; V39-M110 HydrophobicContact CG2-CG 4.15Å; A96-M110 HydrophobicContact CB-CE 3.97Å; A96-M110 WeakPolarHBondContact O-CE 3.2Å; C98-M110 HydrophobicContact CB-SD 4.47Å; V105-M110 HydrophobicContact CB-CE 3.96Å; V105-M110 HydrophobicContact CB-SD 4.08Å; V105-M110 HydrophobicContact CG1-SD 4.37Å; T106-M110 PolarHBondContact O-N 2.99Å; T106-M110 VanDerWaalsContact O-N 3.16Å; L107-M110 VanDerWaalsContact O-CB 3.25Å; L107-M110 WeakPolarHBondContact O-CB 3.46Å; L107-M110 PolarHBondContact O-N 3.49Å; M110-V112 PolarHBondContact O-N 3.14Å; M110-H113 WeakPolarHBondContact O-CB 3.22Å; M110-H113 PolarHBondContact O-N 3.35Å; M110-I114 HydrophobicContact CG-CD1 3.69Å; M110-I114 HydrophobicContact CG-CG1 4.32Å; M110-I114 WeakPolarHBondContact O-CB 3.44Å; M110-I114 VanDerWaalsContact O-CG1 3.28Å; M110-I114 WeakPolarHBondContact O-CG1 3.21Å; M110-I114 PolarHBondContact O-N 3.18Å; M110-I114 HydrophobicContact SD-CD1 4.26Å; M110-I114 HydrophobicContact SD-CG1 4.36Å
111	R	92.9	Very high	94.5	Very high	59 Å²	59	70.4 Å²	70.4	22%	0.223	37%	0.37	C	S	.	.	H	α-helix	trans	-60.7	-45.6	178.1	-172.4	177.1	-70.8	178.2	10.4	112.7	E38 V39 C54 K109 H113 I114 S115	E38-R111 IonicContact OE2-CZ 3.44Å; E38-R111 IonicContact OE2-NE 2.82Å; E38-R111 PolarHBondContact OE2-NE 2.78Å; E38-R111 IonicContact OE2-NH2 3.7Å; V39-R111 PolarHBondContact O-NH2 3.34Å; C54-R111 PolarHBondContact SG-NH2 3.39Å; C54-R111 VanDerWaalsContact SG-NH2 3.36Å; K109-R111 PolarHBondContact O-N 2.84Å; R111-H113 VanDerWaalsContact C-N 3.3Å; R111-H113 PolarHBondContact O-N 3.04Å; R111-I114 PolarHBondContact O-N 3.22Å; R111-S115 PolarHBondContact O-N 3.28Å; R111-S115 VanDerWaalsContact O-N 3.07Å
112	V	93.5	Very high	94.4	Very high	104 Å²	104	72.6 Å²	72.6	63%	0.63	38%	0.376	S	S	*	.	H	α-helix	trans	-66.8	-34	178	-177.9	0	0	0	0	111.5	K109 M110 S115 S116	K109-V112 PolarHBondContact O-N 3.19Å; M110-V112 PolarHBondContact O-N 3.14Å; V112-S115 PolarHBondContact O-OG 3.06Å; V112-S116 PolarHBondContact O-OG 2.92Å
113	H	95.8	Very high	94.2	Very high	34 Å²	34	71 Å²	71	16%	0.157	37%	0.365	C	S	.	.	H	α-helix	trans	-68.2	-48	173.5	172.7	64.2	0	0	0	111.9	C98 C101 V105 K109 M110 R111 S115 S116 C117	C98-H113 VanDerWaalsContact CB-NE2 3.28Å; C98-H113 WeakPolarHBondContact CB-NE2 3.26Å; C98-H113 VanDerWaalsContact SG-CD2 3.58Å; C98-H113 PolarHBondContact SG-NE2 3.41Å; C101-H113 VanDerWaalsContact SG-CE1 3.53Å; C101-H113 PolarHBondContact SG-NE2 2.92Å; V105-H113 HydrophobicContact CG1-CB 3.98Å; V105-H113 HydrophobicContact CG2-CB 4.3Å; K109-H113 PolarHBondContact O-N 3.05Å; M110-H113 WeakPolarHBondContact O-CB 3.22Å; M110-H113 PolarHBondContact O-N 3.35Å; R111-H113 VanDerWaalsContact C-N 3.3Å; R111-H113 PolarHBondContact O-N 3.04Å; H113-S115 VanDerWaalsContact C-N 3.3Å; H113-S115 PolarHBondContact O-N 2.84Å; H113-S116 CarbonylContact O-C 3.59Å; H113-S116 PolarHBondContact O-N 2.93Å; H113-S116 VanDerWaalsContact O-N 3.11Å; H113-S116 PolarHBondContact O-OG 3.05Å; H113-C117 VanDerWaalsContact O-CB 3.3Å; H113-C117 WeakPolarHBondContact O-CB 3.3Å; H113-C117 PolarHBondContact O-N 2.98Å
114	I	93.6	Very high	93.6	Very high	21 Å²	21	70.5 Å²	70.5	11%	0.108	37%	0.366	C	S	.	.	H	α-helix	trans	-57.8	-43	-179.6	-75.2	166	0	0	0	111	R99 M110 R111 S116 C117 V120	R99-I114 VanDerWaalsContact NH1-CD1 3.34Å; M110-I114 HydrophobicContact CG-CD1 3.69Å; M110-I114 HydrophobicContact CG-CG1 4.32Å; M110-I114 WeakPolarHBondContact O-CB 3.44Å; M110-I114 VanDerWaalsContact O-CG1 3.28Å; M110-I114 WeakPolarHBondContact O-CG1 3.21Å; M110-I114 PolarHBondContact O-N 3.18Å; M110-I114 HydrophobicContact SD-CD1 4.26Å; M110-I114 HydrophobicContact SD-CG1 4.36Å; R111-I114 PolarHBondContact O-N 3.22Å; I114-S116 PolarHBondContact O-N 2.84Å; I114-S116 VanDerWaalsContact O-N 3.15Å; I114-C117 PolarHBondContact O-N 2.84Å; I114-V120 HydrophobicContact CG2-CG1 4.12Å
115	S	92.6	Very high	93.1	Very high	97 Å²	97	66 Å²	66	68%	0.678	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.2	-179.9	65.7	0	0	0	0	114.3	R111 V112 H113	R111-S115 PolarHBondContact O-N 3.28Å; R111-S115 VanDerWaalsContact O-N 3.07Å; V112-S115 PolarHBondContact O-OG 3.06Å; H113-S115 VanDerWaalsContact C-N 3.3Å; H113-S115 PolarHBondContact O-N 2.84Å
116	S	94.4	Very high	92.6	Very high	85 Å²	85	71.7 Å²	71.7	59%	0.594	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.1	6.1	-179.9	55	0	0	0	0	113.7	V112 H113 I114 L118	V112-S116 PolarHBondContact O-OG 2.92Å; H113-S116 CarbonylContact O-C 3.59Å; H113-S116 PolarHBondContact O-N 2.93Å; H113-S116 VanDerWaalsContact O-N 3.11Å; H113-S116 PolarHBondContact O-OG 3.05Å; I114-S116 PolarHBondContact O-N 2.84Å; I114-S116 VanDerWaalsContact O-N 3.15Å; S116-L118 PolarHBondContact O-N 3.39Å
117	C	96	Very high	91.8	Very high	8 Å²	8	73.6 Å²	73.6	5%	0.054	40%	0.403	C	S	.	.			trans	-87.3	108.1	-176.9	-176.8	0	0	0	0	111.1	H113 I114 K119 V120 Q121	H113-C117 VanDerWaalsContact O-CB 3.3Å; H113-C117 WeakPolarHBondContact O-CB 3.3Å; H113-C117 PolarHBondContact O-N 2.98Å; I114-C117 PolarHBondContact O-N 2.84Å; C117-K119 PolarHBondContact O-N 3.13Å; C117-V120 HydrophobicContact CB-CB 4.1Å; C117-V120 HydrophobicContact CB-CG2 3.92Å; C117-V120 PolarHBondContact O-N 3.32Å; C117-Q121 PolarHBondContact O-N 3.4Å
118	L	95.2	Very high	91.1	Very high	119 Å²	119	79.6 Å²	79.6	62%	0.623	44%	0.442	S	S	*	.	H	α-helix	trans	-52.9	-39.9	179	-64	177.6	0	0	0	112.8	S116 Q121 E122	S116-L118 PolarHBondContact O-N 3.39Å; L118-Q121 PolarHBondContact O-N 2.94Å; L118-E122 WeakPolarHBondContact O-CB 3.31Å; L118-E122 VanDerWaalsContact O-CG 3.3Å; L118-E122 WeakPolarHBondContact O-CG 3.43Å; L118-E122 PolarHBondContact O-N 3.5Å
119	K	95.1	Very high	90.3	Very high	105 Å²	105	85.4 Å²	85.4	46%	0.457	46%	0.457	S	S	.	.	H	α-helix	trans	-67.5	-37.6	179.1	-69.6	-70.2	165.2	-151.9	0	113.2	G100 C101 C117 E122 Q123	G100-K119 VanDerWaalsContact C-CB 3.45Å; G100-K119 WeakPolarHBondContact O-CB 2.98Å; C101-K119 HydrophobicContact CB-CB 4.2Å; C101-K119 HydrophobicContact CB-CG 4.18Å; C117-K119 PolarHBondContact O-N 3.13Å; K119-E122 WeakPolarHBondContact CD-OE2 3.46Å; K119-E122 IonicContact NZ-OE1 3.88Å; K119-E122 IonicContact NZ-OE2 2.82Å; K119-E122 PolarHBondContact NZ-OE2 3.06Å; K119-Q123 VanDerWaalsContact O-CG 3.24Å; K119-Q123 WeakPolarHBondContact O-CG 3.39Å; K119-Q123 PolarHBondContact O-N 3.47Å; K119-Q123 VanDerWaalsContact O-N 3.09Å
120	V	92.9	Very high	89.5	Confident	2 Å²	2	87.3 Å²	87.3	1%	0.012	47%	0.466	C	S	.	.	H	α-helix	trans	-69	-40.6	173.3	179.2	0	0	0	0	110.1	R99 I114 C117 Q123 M124	R99-V120 HydrophobicContact CG-CG2 4.32Å; I114-V120 HydrophobicContact CG2-CG1 4.12Å; C117-V120 HydrophobicContact CB-CB 4.1Å; C117-V120 HydrophobicContact CB-CG2 3.92Å; C117-V120 PolarHBondContact O-N 3.32Å; V120-Q123 WeakPolarHBondContact O-CB 3.5Å; V120-Q123 PolarHBondContact O-N 3.44Å; V120-M124 HydrophobicContact CG1-CG 4.23Å; V120-M124 HydrophobicContact CG1-SD 3.88Å; V120-M124 VanDerWaalsContact O-CG 3.3Å; V120-M124 WeakPolarHBondContact O-CG 3.4Å; V120-M124 PolarHBondContact O-N 3.05Å
121	Q	91.3	Very high	88.5	Confident	124 Å²	124	92.4 Å²	92.4	58%	0.579	50%	0.497	S	S	*	.	H	α-helix	trans	-62.5	-43.5	178	-169.4	178	12.7	0	0	112.3	C117 L118 M124 A125	C117-Q121 PolarHBondContact O-N 3.4Å; L118-Q121 PolarHBondContact O-N 2.94Å; Q121-M124 PolarHBondContact O-N 3.2Å; Q121-A125 WeakPolarHBondContact O-CB 3.37Å; Q121-A125 PolarHBondContact O-N 2.79Å
122	E	92	Very high	87.7	Confident	94 Å²	94	93.2 Å²	93.2	44%	0.439	51%	0.51	S	S	.	.	H	α-helix	trans	-58.8	-45.2	172.4	-75.8	169.3	-171.4	0	0	111.2	L118 K119 A125 N126	L118-E122 WeakPolarHBondContact O-CB 3.31Å; L118-E122 VanDerWaalsContact O-CG 3.3Å; L118-E122 WeakPolarHBondContact O-CG 3.43Å; L118-E122 PolarHBondContact O-N 3.5Å; K119-E122 WeakPolarHBondContact CD-OE2 3.46Å; K119-E122 IonicContact NZ-OE1 3.88Å; K119-E122 IonicContact NZ-OE2 2.82Å; K119-E122 PolarHBondContact NZ-OE2 3.06Å; E122-A125 PolarHBondContact O-N 3.49Å; E122-N126 PolarHBondContact O-N 3.3Å; E122-N126 PolarHBondContact O-ND2 3.02Å
123	Q	89.3	Confident	86.9	Confident	90 Å²	90	95.1 Å²	95.1	42%	0.421	52%	0.521	S	S	.	.	H	α-helix	trans	-61.4	-44.3	176.1	-74.5	171.2	-9.5	0	0	112	R99 K119 V120 A125 N126 C127	R99-Q123 PolarHBondContact O-NE2 3.36Å; K119-Q123 VanDerWaalsContact O-CG 3.24Å; K119-Q123 WeakPolarHBondContact O-CG 3.39Å; K119-Q123 PolarHBondContact O-N 3.47Å; K119-Q123 VanDerWaalsContact O-N 3.09Å; V120-Q123 WeakPolarHBondContact O-CB 3.5Å; V120-Q123 PolarHBondContact O-N 3.44Å; Q123-A125 VanDerWaalsContact C-N 3.32Å; Q123-A125 PolarHBondContact O-N 3.41Å; Q123-N126 PolarHBondContact O-N 3.23Å; Q123-N126 VanDerWaalsContact O-N 3.15Å; Q123-C127 PolarHBondContact O-N 2.99Å
124	M	84.3	Confident	86	Confident	127 Å²	127	98.1 Å²	98.1	63%	0.626	54%	0.542	S	S	*	.	H	α-helix	trans	-65.2	-35.2	177.6	-69.4	172	75.8	0	0	112.3	V120 Q121 N126 C127	V120-M124 HydrophobicContact CG1-CG 4.23Å; V120-M124 HydrophobicContact CG1-SD 3.88Å; V120-M124 VanDerWaalsContact O-CG 3.3Å; V120-M124 WeakPolarHBondContact O-CG 3.4Å; V120-M124 PolarHBondContact O-N 3.05Å; Q121-M124 PolarHBondContact O-N 3.2Å; M124-N126 PolarHBondContact O-N 3.39Å; M124-C127 WeakPolarHBondContact O-CB 3.5Å; M124-C127 PolarHBondContact O-N 3.14Å
125	A	84.2	Confident	84.7	Confident	68 Å²	68	102.4 Å²	102.4	56%	0.562	57%	0.571	S	S	*	*	H	α-helix	trans	-65.5	-28.9	174.6	0	0	0	0	0	112.5	Q121 E122 Q123	Q121-A125 WeakPolarHBondContact O-CB 3.37Å; Q121-A125 PolarHBondContact O-N 2.79Å; E122-A125 PolarHBondContact O-N 3.49Å; Q123-A125 VanDerWaalsContact C-N 3.32Å; Q123-A125 PolarHBondContact O-N 3.41Å
126	N	84.8	Confident	83.8	Confident	136 Å²	136	101.7 Å²	101.7	73%	0.727	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-7.9	177.5	-67	-22.8	0	0	0	113.8	E122 Q123 M124	E122-N126 PolarHBondContact O-N 3.3Å; E122-N126 PolarHBondContact O-ND2 3.02Å; Q123-N126 PolarHBondContact O-N 3.23Å; Q123-N126 VanDerWaalsContact O-N 3.15Å; M124-N126 PolarHBondContact O-N 3.39Å
127	C	80.2	Confident	82.6	Confident	74 Å²	74	103.3 Å²	103.3	50%	0.5	57%	0.574	S	S	.	*	S	Bend	trans	-61.4	138.9	173.5	-74.5	0	0	0	0	109.7	Q123 M124 K129	Q123-C127 PolarHBondContact O-N 2.99Å; M124-C127 WeakPolarHBondContact O-CB 3.5Å; M124-C127 PolarHBondContact O-N 3.14Å; C127-K129 PolarHBondContact O-N 3.22Å
128	P	80.9	Confident	81.4	Confident	127 Å²	127	110 Å²	110	83%	0.825	60%	0.604	S	S	*	*			trans	-57.2	112.7	174	22.8	-30.6	0	0	0	108.1	F130	P128-F130 PolarHBondContact O-N 3.16Å
129	K	77.7	Confident	79.9	Confident	173 Å²	173	109.4 Å²	109.4	75%	0.752	61%	0.608	S	S	*	*			trans	-63	131.5	168.8	-66.6	-179.2	-177	175	0	106	C127 V131	C127-K129 PolarHBondContact O-N 3.22Å; K129-V131 PolarHBondContact O-N 2.95Å
130	F	79.4	Confident	78.3	Confident	186 Å²	186	111.2 Å²	111.2	82%	0.816	62%	0.621	S	S	*	*			trans	-59.4	107.6	170.7	-176.9	-92.4	0	0	0	107.5	P128	P128-F130 PolarHBondContact O-N 3.16Å
131	V	72.9	Confident	76.6	Confident	108 Å²	108	114.7 Å²	114.7	66%	0.655	64%	0.643	S	S	*	*			trans	-107.4	129.8	167.4	-173.1	0	0	0	0	104.5	K129 V133	K129-V131 PolarHBondContact O-N 2.95Å; V131-V133 PolarHBondContact O-N 2.86Å
132	P	74.9	Confident	75.2	Confident	76 Å²	76	113.7 Å²	113.7	49%	0.494	65%	0.65	S	S	.	*			trans	-46.6	128.9	173	-28.1	35.3	0	0	0	110.3	V134	P132-V134 VanDerWaalsContact CB-O 3.3Å; P132-V134 WeakPolarHBondContact CB-O 3.36Å; P132-V134 PolarHBondContact O-N 3.17Å
133	V	76.8	Confident	74	Confident	144 Å²	144	116.2 Å²	116.2	87%	0.873	67%	0.667	S	S	*	*	S	Bend	trans	-53.2	-30.8	-177.5	176.9	0	0	0	0	111.5	V131	V131-V133 PolarHBondContact O-N 2.86Å
134	V	77.3	Confident	73	Confident	97 Å²	97	117.4 Å²	117.4	59%	0.588	68%	0.675	S	S	*	*	S	Bend	trans	-126.7	135.2	171.3	-156.7	0	0	0	0	106.4	P132 T136	P132-V134 VanDerWaalsContact CB-O 3.3Å; P132-V134 WeakPolarHBondContact CB-O 3.36Å; P132-V134 PolarHBondContact O-N 3.17Å; V134-T136 PolarHBondContact O-N 3.09Å
135	P	66.9	Low	72.5	Confident	110 Å²	110	114.1 Å²	114.1	71%	0.714	66%	0.663	S	S	*	*			trans	-49.9	121	157.9	-20.4	31.4	0	0	0	106.5	S137	P135-S137 PolarHBondContact O-N 2.77Å
136	T	72.7	Confident	72.3	Confident	83 Å²	83	115.2 Å²	115.2	51%	0.509	66%	0.659	S	S	.	*			trans	-58.1	122.5	178.8	-177.5	0	0	0	0	108	V134 Q138	V134-T136 PolarHBondContact O-N 3.09Å; T136-Q138 PolarHBondContact O-N 2.88Å; T136-Q138 VanDerWaalsContact OG1-CB 3.23Å; T136-Q138 WeakPolarHBondContact OG1-CB 3.08Å; T136-Q138 WeakPolarHBondContact OG1-CG 3.44Å; T136-Q138 PolarHBondContact OG1-N 3.07Å; T136-Q138 PolarHBondContact OG1-OE1 3.2Å
137	S	69.8	Low	72.2	Confident	118 Å²	118	113.5 Å²	113.5	83%	0.825	64%	0.643	S	S	*	*	S	Bend	trans	-70.5	-10.1	170.2	-50.7	0	0	0	0	111.2	P135 P139	P135-S137 PolarHBondContact O-N 2.77Å; S137-P139 WeakPolarHBondContact O-CD 3.21Å
138	Q	70.1	Confident	72.6	Confident	148 Å²	148	114.3 Å²	114.3	69%	0.692	65%	0.649	S	S	*	*	S	Bend	trans	-62.8	121.6	166.1	-57.1	179.1	-52.4	0	0	105.7	T136 I140	T136-Q138 PolarHBondContact O-N 2.88Å; T136-Q138 VanDerWaalsContact OG1-CB 3.23Å; T136-Q138 WeakPolarHBondContact OG1-CB 3.08Å; T136-Q138 WeakPolarHBondContact OG1-CG 3.44Å; T136-Q138 PolarHBondContact OG1-N 3.07Å; T136-Q138 PolarHBondContact OG1-OE1 3.2Å; Q138-I140 PolarHBondContact O-N 2.8Å; Q138-I140 VanDerWaalsContact O-N 3.14Å
139	P	65.6	Low	73.1	Confident	108 Å²	108	110.6 Å²	110.6	70%	0.701	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-50.4	132.7	167.9	22.9	-31.3	0	0	0	106	S137 P141	S137-P139 WeakPolarHBondContact O-CD 3.21Å; P139-P141 WeakPolarHBondContact O-CD 3.48Å
140	I	60.6	Low	73.9	Confident	142 Å²	142	103.1 Å²	103.1	73%	0.728	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-47.4	117.9	162.2	-63.1	169	0	0	0	102.9	Q138 S142	Q138-I140 PolarHBondContact O-N 2.8Å; Q138-I140 VanDerWaalsContact O-N 3.14Å; I140-S142 PolarHBondContact O-N 3.19Å
141	P	57.2	Low	74.6	Confident	75 Å²	75	96.3 Å²	96.3	49%	0.487	57%	0.57	S	S	.	*			trans	-69.5	83.9	176.4	21	-22	0	0	0	105.6	P139 N143 I144	P139-P141 WeakPolarHBondContact O-CD 3.48Å; P141-N143 PolarHBondContact O-N 3Å; P141-I144 HydrophobicContact CB-CB 3.89Å; P141-I144 HydrophobicContact CB-CD1 3.3Å; P141-I144 HydrophobicContact CB-CG1 3.51Å; P141-I144 HydrophobicContact CG-CB 4.28Å; P141-I144 HydrophobicContact CG-CD1 3.66Å; P141-I144 HydrophobicContact CG-CG1 4.21Å; P141-I144 PolarHBondContact O-N 2.94Å
142	S	62.1	Low	75.8	Confident	103 Å²	103	91.3 Å²	91.3	72%	0.72	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-19	-175.7	58.7	0	0	0	0	110.8	I140	I140-S142 PolarHBondContact O-N 3.19Å
143	N	65.9	Low	76.7	Confident	147 Å²	147	90 Å²	90	79%	0.786	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	4.5	179.3	-76.8	-64.2	0	0	0	114.5	P141 P145	P141-N143 PolarHBondContact O-N 3Å; N143-P145 WeakPolarHBondContact O-CD 3.46Å
144	I	68.8	Low	77.6	Confident	116 Å²	116	85.2 Å²	85.2	60%	0.595	50%	0.498	S	S	*	.	S	Bend	trans	-84.6	104.4	168.3	-65.6	173.4	0	0	0	106.7	P141 N146	P141-I144 HydrophobicContact CB-CB 3.89Å; P141-I144 HydrophobicContact CB-CD1 3.3Å; P141-I144 HydrophobicContact CB-CG1 3.51Å; P141-I144 HydrophobicContact CG-CB 4.28Å; P141-I144 HydrophobicContact CG-CD1 3.66Å; P141-I144 HydrophobicContact CG-CG1 4.21Å; P141-I144 PolarHBondContact O-N 2.94Å; I144-N146 PolarHBondContact O-N 3.44Å
145	P	73.4	Confident	78.4	Confident	58 Å²	58	84 Å²	84	38%	0.377	49%	0.492	S	S	.	.			trans	-59.2	139.4	177.4	25.5	-34.1	0	0	0	109.2	N143 R147 A187	N143-P145 WeakPolarHBondContact O-CD 3.46Å; P145-R147 WeakPolarHBondContact O-CG 3.3Å; P145-R147 PolarHBondContact O-N 3.03Å; P145-A187 HydrophobicContact CB-CB 4.5Å
146	N	79.7	Confident	79.7	Confident	90 Å²	90	80.8 Å²	80.8	48%	0.481	48%	0.479	S	S	.	.			trans	-60.9	119.5	171	-179.3	-0.8	0	0	0	108.8	I144 S148 T149	I144-N146 PolarHBondContact O-N 3.44Å; N146-S148 PolarHBondContact OD1-N 3.02Å; N146-T149 PolarHBondContact ND2-O 3.38Å; N146-T149 VanDerWaalsContact ND2-O 3.09Å; N146-T149 PolarHBondContact ND2-OG1 3.2Å; N146-T149 PolarHBondContact OD1-N 2.63Å; N146-T149 VanDerWaalsContact OD1-N 3.07Å
147	R	84	Confident	80.6	Confident	101 Å²	101	78.4 Å²	78.4	38%	0.381	47%	0.469	S	S	.	.			trans	-109.7	0.3	-179.6	-68.8	160.2	-177.7	-79	-7.2	112.8	P145 F150 A187	P145-R147 WeakPolarHBondContact O-CG 3.3Å; P145-R147 PolarHBondContact O-N 3.03Å; R147-F150 VanDerWaalsContact O-CZ 3.31Å; R147-F150 WeakPolarHBondContact O-CZ 3.31Å; R147-A187 HydrophobicContact CG-CB 4.32Å; R147-A187 PolarHBondContact NH1-O 3.07Å; R147-A187 VanDerWaalsContact NH1-O 3.1Å; R147-A187 PolarHBondContact NH2-O 2.87Å
148	S	87.1	Confident	81.8	Confident	90 Å²	90	82.2 Å²	82.2	63%	0.629	47%	0.465	S	S	*	.	S	Bend	trans	-107.4	-35.3	-171.6	-53.8	0	0	0	0	112.2	N146	N146-S148 PolarHBondContact OD1-N 3.02Å
149	T	91.9	Very high	82.8	Confident	49 Å²	49	80.8 Å²	80.8	30%	0.301	46%	0.462	S	S	.	.			trans	-132.4	143.4	177.7	62.9	0	0	0	0	112.2	N146 L160	N146-T149 PolarHBondContact ND2-O 3.38Å; N146-T149 VanDerWaalsContact ND2-O 3.09Å; N146-T149 PolarHBondContact ND2-OG1 3.2Å; N146-T149 PolarHBondContact OD1-N 2.63Å; N146-T149 VanDerWaalsContact OD1-N 3.07Å; T149-L160 CarbonylContact C-O 3.5Å; T149-L160 WeakPolarHBondContact CA-O 3.47Å
150	F	94.6	Very high	84.2	Confident	16 Å²	16	76.7 Å²	76.7	7%	0.07	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-127.4	157.4	-170.5	-54.8	-74.5	0	0	0	110.7	R147 N159 L160 L165 P183 I184 A187	R147-F150 VanDerWaalsContact O-CZ 3.31Å; R147-F150 WeakPolarHBondContact O-CZ 3.31Å; F150-N159 PolarHBondContact O-N 3.04Å; F150-L160 PolarHBondContact N-O 3.04Å; F150-L160 PolarHBondContact O-N 3.22Å; F150-L160 VanDerWaalsContact O-N 3.16Å; F150-L165 HydrophobicContact CB-CD2 4.01Å; F150-L165 HydrophobicContact CG-CD2 4.46Å; F150-P183 HydrophobicContact CB-CB 4.12Å; F150-P183 HydrophobicContact CB-CG 4Å; F150-P183 HydrophobicContact CD1-CB 3.97Å; F150-P183 HydrophobicContact CD1-CG 4.45Å; F150-P183 HydrophobicContact CG-CB 4.39Å; F150-P183 HydrophobicContact CG-CG 4.44Å; F150-I184 HydrophobicContact CD1-CG1 4.17Å; F150-I184 HydrophobicContact CD2-CD1 4.46Å; F150-I184 HydrophobicContact CD2-CG1 3.86Å; F150-I184 HydrophobicContact CE1-CB 4.26Å; F150-I184 HydrophobicContact CE1-CG1 4.08Å; F150-I184 HydrophobicContact CE1-CG2 4.5Å; F150-I184 HydrophobicContact CE2-CD1 4.36Å; F150-I184 HydrophobicContact CE2-CG1 3.77Å; F150-I184 HydrophobicContact CE2-CG2 4.46Å; F150-I184 HydrophobicContact CG-CG1 4.05Å; F150-I184 HydrophobicContact CZ-CB 4.16Å; F150-I184 HydrophobicContact CZ-CG1 3.87Å; F150-I184 HydrophobicContact CZ-CG2 4.01Å; F150-A187 HydrophobicContact CE1-CB 4.01Å
151	A	94.9	Very high	85.7	Confident	44 Å²	44	72.9 Å²	72.9	36%	0.364	42%	0.415	S	S	.	.			trans	-98.1	136.3	168.4	0	0	0	0	0	109.4	P153 A157	A151-P153 WeakPolarHBondContact O-CD 3.35Å; A151-A157 CarbonylContact C-O 3.46Å; A151-A157 VanDerWaalsContact CA-O 3.22Å; A151-A157 WeakPolarHBondContact CA-O 3.35Å
152	C	96.5	Very high	87.3	Confident	2 Å²	2	71.2 Å²	71.2	1%	0.014	40%	0.401	C	S	.	.			trans	-60.6	122.2	169.9	177.8	0	0	0	0	108.9	Y154 G156 A157 L160 L165 H168	C152-Y154 PolarHBondContact O-N 3.07Å; C152-G156 WeakPolarHBondContact O-CA 3.38Å; C152-G156 PolarHBondContact O-N 2.93Å; C152-A157 HydrophobicContact CB-CB 4.03Å; C152-A157 PolarHBondContact N-O 3.11Å; C152-L160 HydrophobicContact CB-CD1 4.11Å; C152-L165 HydrophobicContact CB-CD1 4.2Å; C152-H168 VanDerWaalsContact SG-CD2 3.6Å; C152-H168 PolarHBondContact SG-NE2 3.17Å
153	P	95.1	Very high	88.7	Confident	49 Å²	49	71.3 Å²	71.3	32%	0.318	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-12.8	-176.7	31.2	-37.4	0	0	0	113.4	A151 V180 F200	A151-P153 WeakPolarHBondContact O-CD 3.35Å; P153-V180 HydrophobicContact CB-CB 3.72Å; P153-V180 HydrophobicContact CB-CG1 3.95Å; P153-V180 HydrophobicContact CB-CG2 4.14Å; P153-V180 HydrophobicContact CG-CB 3.85Å; P153-V180 HydrophobicContact CG-CG1 4.27Å; P153-V180 HydrophobicContact CG-CG2 3.67Å; P153-F200 HydrophobicContact CG-CD1 4.33Å; P153-F200 HydrophobicContact CG-CE1 3.79Å; P153-F200 HydrophobicContact CG-CZ 3.9Å
154	Y	94.6	Very high	90	Very high	44 Å²	44	69 Å²	69	17%	0.173	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-49	177.3	-62.2	-60.8	0	0	0	112.9	C152 H173 D176 N178 V180 F200	C152-Y154 PolarHBondContact O-N 3.07Å; Y154-H173 VanDerWaalsContact CB-CE1 3.44Å; Y154-H173 WeakPolarHBondContact CB-CE1 3.31Å; Y154-H173 HydrophobicContact CD2-CB 3.57Å; Y154-H173 AromaticContact CD2-CD2 3.8Å; Y154-H173 AromaticContact CD2-CG 3.48Å; Y154-H173 VanDerWaalsContact CD2-CG 3.48Å; Y154-H173 AromaticContact CD2-ND1 3.94Å; Y154-H173 HydrophobicContact CE2-CB 3.77Å; Y154-H173 HydrophobicContact CG-CB 4.31Å; Y154-H173 AromaticContact CG-CG 3.92Å; Y154-H173 AromaticContact CG-ND1 3.88Å; Y154-D176 HydrophobicContact CD1-CB 4.22Å; Y154-D176 HydrophobicContact CE1-CB 3.93Å; Y154-D176 HydrophobicContact CE2-CB 4.47Å; Y154-N178 HydrophobicContact CD1-CB 4.33Å; Y154-N178 HydrophobicContact CE1-CB 4.1Å; Y154-V180 HydrophobicContact CD1-CG1 3.86Å; Y154-V180 HydrophobicContact CE1-CB 4.49Å; Y154-V180 HydrophobicContact CE1-CG1 3.73Å; Y154-V180 HydrophobicContact CE1-CG2 3.89Å; Y154-F200 HydrophobicContact CD2-CD1 4.41Å; Y154-F200 AromaticContact CE2-CD1 3.49Å; Y154-F200 HydrophobicContact CE2-CD1 3.49Å; Y154-F200 VanDerWaalsContact CE2-CD1 3.49Å; Y154-F200 AromaticContact CE2-CE1 3.96Å; Y154-F200 HydrophobicContact CE2-CE1 3.96Å; Y154-F200 AromaticContact CZ-CD1 3.77Å
155	C	95	Very high	91.3	Very high	70 Å²	70	63.5 Å²	63.5	47%	0.473	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-6.6	-172.7	68.1	0	0	0	0	114.4	A157 H168	C155-A157 VanDerWaalsContact C-N 3.3Å; C155-A157 PolarHBondContact O-N 3.23Å; C155-H168 PolarHBondContact SG-NE2 3.29Å
156	G	93.1	Very high	92.2	Very high	43 Å²	43	61.5 Å²	61.5	44%	0.443	33%	0.333	S	S	.	.			trans	76.5	8.3	-179.1	0	0	0	0	0	115.1	C152 R158	C152-G156 WeakPolarHBondContact O-CA 3.38Å; C152-G156 PolarHBondContact O-N 2.93Å; G156-R158 WeakPolarHBondContact O-CG 3.49Å; G156-R158 PolarHBondContact O-N 3.48Å
157	A	93.4	Very high	93	Very high	34 Å²	34	61.6 Å²	61.6	28%	0.281	33%	0.329	S	S	.	.			trans	-52.8	123.7	172.8	0	0	0	0	0	110.2	A151 C152 C155 L160	A151-A157 CarbonylContact C-O 3.46Å; A151-A157 VanDerWaalsContact CA-O 3.22Å; A151-A157 WeakPolarHBondContact CA-O 3.35Å; C152-A157 HydrophobicContact CB-CB 4.03Å; C152-A157 PolarHBondContact N-O 3.11Å; C155-A157 VanDerWaalsContact C-N 3.3Å; C155-A157 PolarHBondContact O-N 3.23Å; A157-L160 HydrophobicContact CB-CD1 4.11Å
158	R	93.4	Very high	93.5	Very high	198 Å²	198	58.6 Å²	58.6	75%	0.747	32%	0.319	S	S	*	.			trans	-104.2	168.3	-170.2	-53.1	-175.2	71.3	-179.3	2	111.5	G156 L160	G156-R158 WeakPolarHBondContact O-CG 3.49Å; G156-R158 PolarHBondContact O-N 3.48Å; R158-L160 PolarHBondContact O-N 3.25Å
159	N	92.8	Very high	93.9	Very high	117 Å²	117	54.3 Å²	54.3	63%	0.626	29%	0.289	S	S	*	.	S	Bend	trans	62.8	25	174.6	-51.6	-44.9	0	0	0	114.1	F150	F150-N159 PolarHBondContact O-N 3.04Å
160	L	94.5	Very high	94	Very high	23 Å²	23	53.7 Å²	53.7	12%	0.12	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-81.8	126.2	175.1	-59.5	171.4	0	0	0	108.2	T149 F150 C152 A157 R158 E164 L165 H168	T149-L160 CarbonylContact C-O 3.5Å; T149-L160 WeakPolarHBondContact CA-O 3.47Å; F150-L160 PolarHBondContact N-O 3.04Å; F150-L160 PolarHBondContact O-N 3.22Å; F150-L160 VanDerWaalsContact O-N 3.16Å; C152-L160 HydrophobicContact CB-CD1 4.11Å; A157-L160 HydrophobicContact CB-CD1 4.11Å; R158-L160 PolarHBondContact O-N 3.25Å; L160-E164 HydrophobicContact CB-CB 4.19Å; L160-E164 HydrophobicContact CD2-CB 4.03Å; L160-L165 HydrophobicContact CB-CB 4.08Å; L160-L165 HydrophobicContact CD1-CD1 3.78Å; L160-H168 HydrophobicContact CD1-CB 4.17Å
161	D	92	Very high	94.1	Very high	61 Å²	61	59.4 Å²	59.4	33%	0.326	31%	0.312	S	S	.	.			trans	-68.3	179.7	165.2	76.2	23.9	0	0	0	111.1	Q163 E164 L165	D161-Q163 VanDerWaalsContact C-N 3.33Å; D161-Q163 PolarHBondContact O-N 2.99Å; D161-Q163 WeakPolarHBondContact OD1-CA 3.09Å; D161-Q163 WeakPolarHBondContact OD1-CB 3.37Å; D161-Q163 PolarHBondContact OD1-N 3.43Å; D161-E164 PolarHBondContact N-OE2 3.43Å; D161-E164 WeakPolarHBondContact OD1-CB 3.23Å; D161-E164 WeakPolarHBondContact OD1-CG 3.42Å; D161-E164 PolarHBondContact OD1-N 3.31Å; D161-L165 WeakPolarHBondContact O-CB 3.43Å; D161-L165 PolarHBondContact O-N 3.39Å
162	Q	91.1	Very high	94.1	Very high	40 Å²	40	60.7 Å²	60.7	19%	0.187	32%	0.318	C	S	.	.	H	α-helix	trans	-58	-42.1	178.7	174.5	172.7	-36.1	0	0	112.8	V166 I184 H208 F210	Q162-V166 WeakPolarHBondContact O-CG2 3.42Å; Q162-V166 PolarHBondContact O-N 3.03Å; Q162-I184 HydrophobicContact CB-CD1 4.3Å; Q162-I184 HydrophobicContact CG-CD1 3.89Å; Q162-H208 HydrophobicContact CG-CB 4.13Å; Q162-H208 WeakPolarHBondContact CG-O 3.37Å; Q162-H208 PolarHBondContact NE2-O 3.29Å; Q162-F210 PolarHBondContact NE2-O 3.28Å
163	Q	91.1	Very high	94	Very high	106 Å²	106	62 Å²	62	50%	0.495	33%	0.325	S	S	.	.	H	α-helix	trans	-73.6	-43.2	-177.2	-63	-177	1.4	0	0	111.3	D161 L165 V166 K167	D161-Q163 VanDerWaalsContact C-N 3.33Å; D161-Q163 PolarHBondContact O-N 2.99Å; D161-Q163 WeakPolarHBondContact OD1-CA 3.09Å; D161-Q163 WeakPolarHBondContact OD1-CB 3.37Å; D161-Q163 PolarHBondContact OD1-N 3.43Å; Q163-L165 VanDerWaalsContact C-N 3.34Å; Q163-V166 PolarHBondContact O-N 2.92Å; Q163-K167 WeakPolarHBondContact O-CB 3.34Å; Q163-K167 PolarHBondContact O-N 3.35Å
164	E	93.3	Very high	93.8	Very high	98 Å²	98	68.5 Å²	68.5	46%	0.458	34%	0.342	S	S	.	.	H	α-helix	trans	-64.3	-38.8	175.8	-68.5	-176.2	135.2	0	0	111.3	L160 D161 K167 H168	L160-E164 HydrophobicContact CB-CB 4.19Å; L160-E164 HydrophobicContact CD2-CB 4.03Å; D161-E164 PolarHBondContact N-OE2 3.43Å; D161-E164 WeakPolarHBondContact OD1-CB 3.23Å; D161-E164 WeakPolarHBondContact OD1-CG 3.42Å; D161-E164 PolarHBondContact OD1-N 3.31Å; E164-K167 PolarHBondContact O-N 3.11Å; E164-H168 WeakPolarHBondContact O-CB 3.38Å; E164-H168 PolarHBondContact O-N 2.87Å
165	L	94.9	Very high	93.6	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-62.9	-44.9	174.9	-177	66.4	0	0	0	111.1	F150 C152 L160 D161 Q163 C169 P183 I184 L204	F150-L165 HydrophobicContact CB-CD2 4.01Å; F150-L165 HydrophobicContact CG-CD2 4.46Å; C152-L165 HydrophobicContact CB-CD1 4.2Å; L160-L165 HydrophobicContact CB-CB 4.08Å; L160-L165 HydrophobicContact CD1-CD1 3.78Å; D161-L165 WeakPolarHBondContact O-CB 3.43Å; D161-L165 PolarHBondContact O-N 3.39Å; Q163-L165 VanDerWaalsContact C-N 3.34Å; L165-C169 WeakPolarHBondContact O-CB 3.46Å; L165-C169 PolarHBondContact O-N 2.87Å; L165-C169 PolarHBondContact O-SG 3.26Å; L165-P183 HydrophobicContact CD2-CG 3.78Å; L165-I184 HydrophobicContact CD2-CD1 4.02Å; L165-I184 HydrophobicContact CD2-CG1 4.05Å; L165-L204 HydrophobicContact CD2-CD1 4.23Å; L165-L204 HydrophobicContact CG-CD2 4.33Å
166	V	94.2	Very high	93.3	Very high	16 Å²	16	70.9 Å²	70.9	10%	0.097	36%	0.362	C	S	.	.	H	α-helix	trans	-57.6	-54.6	174.8	176.7	0	0	0	0	110.2	Q162 Q163 H168 C169 V170 L204 L205	Q162-V166 WeakPolarHBondContact O-CG2 3.42Å; Q162-V166 PolarHBondContact O-N 3.03Å; Q163-V166 PolarHBondContact O-N 2.92Å; V166-H168 PolarHBondContact O-N 3.35Å; V166-C169 PolarHBondContact O-N 3.39Å; V166-V170 HydrophobicContact CG1-CG2 4.43Å; V166-V170 VanDerWaalsContact O-CG2 3.24Å; V166-V170 WeakPolarHBondContact O-CG2 3.47Å; V166-V170 PolarHBondContact O-N 2.75Å; V166-L204 HydrophobicContact CB-CD2 4.32Å; V166-L204 HydrophobicContact CB-CG 4.39Å; V166-L204 HydrophobicContact CG2-CD1 4.17Å; V166-L204 HydrophobicContact CG2-CD2 4.09Å; V166-L204 HydrophobicContact CG2-CG 3.69Å; V166-L205 HydrophobicContact CG1-CD2 3.84Å
167	K	94.5	Very high	93.1	Very high	93 Å²	93	74.3 Å²	74.3	40%	0.404	38%	0.377	S	S	.	.	H	α-helix	trans	-58.6	-50.8	-178.8	-177.7	-177.7	174.3	-173.2	0	111.6	Q163 E164 C169 V170 E171	Q163-K167 WeakPolarHBondContact O-CB 3.34Å; Q163-K167 PolarHBondContact O-N 3.35Å; E164-K167 PolarHBondContact O-N 3.11Å; K167-C169 PolarHBondContact O-N 2.79Å; K167-V170 PolarHBondContact O-N 3.38Å; K167-E171 WeakPolarHBondContact CE-OE1 3.24Å; K167-E171 HydrophobicContact CG-CG 4.41Å; K167-E171 WeakPolarHBondContact CG-OE1 3.42Å; K167-E171 WeakPolarHBondContact O-CB 3.31Å; K167-E171 WeakPolarHBondContact O-CG 3.5Å; K167-E171 PolarHBondContact O-N 3.43Å
168	H	96.4	Very high	93	Very high	37 Å²	37	77.5 Å²	77.5	17%	0.171	39%	0.389	C	S	.	.	H	α-helix	trans	-56.5	-46.9	179.4	170.1	72.5	0	0	0	112	C152 C155 L160 E164 V166 E171 S172 H173	C152-H168 VanDerWaalsContact SG-CD2 3.6Å; C152-H168 PolarHBondContact SG-NE2 3.17Å; C155-H168 PolarHBondContact SG-NE2 3.29Å; L160-H168 HydrophobicContact CD1-CB 4.17Å; E164-H168 WeakPolarHBondContact O-CB 3.38Å; E164-H168 PolarHBondContact O-N 2.87Å; V166-H168 PolarHBondContact O-N 3.35Å; H168-E171 PolarHBondContact O-N 3.27Å; H168-S172 VanDerWaalsContact O-CB 3.22Å; H168-S172 WeakPolarHBondContact O-CB 3.47Å; H168-S172 PolarHBondContact O-N 3.38Å; H168-S172 PolarHBondContact O-OG 3.35Å; H168-H173 AromaticContact NE2-CD2 3.78Å; H168-H173 AromaticContact NE2-NE2 3.64Å
169	C	95.2	Very high	93.1	Very high	0 Å²	0	76.1 Å²	76.1	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-68.6	-36	-179.2	-65.9	0	0	0	0	112.3	L165 V166 K167 H173 F200 L201 L204	L165-C169 WeakPolarHBondContact O-CB 3.46Å; L165-C169 PolarHBondContact O-N 2.87Å; L165-C169 PolarHBondContact O-SG 3.26Å; V166-C169 PolarHBondContact O-N 3.39Å; K167-C169 PolarHBondContact O-N 2.79Å; C169-H173 CarbonylContact O-C 3.54Å; C169-H173 WeakPolarHBondContact O-CA 3.32Å; C169-H173 WeakPolarHBondContact O-CB 3.45Å; C169-H173 PolarHBondContact O-N 2.94Å; C169-F200 HydrophobicContact CB-CE1 4.49Å; C169-L201 HydrophobicContact CB-CD1 3.95Å; C169-L204 HydrophobicContact CB-CD2 3.94Å
170	V	94.3	Very high	93.2	Very high	37 Å²	37	71.3 Å²	71.3	22%	0.224	36%	0.359	C	S	.	.	H	α-helix	trans	-66.2	-41.3	175.2	171.9	0	0	0	0	111.6	V166 K167 L201 L205	V166-V170 HydrophobicContact CG1-CG2 4.43Å; V166-V170 VanDerWaalsContact O-CG2 3.24Å; V166-V170 WeakPolarHBondContact O-CG2 3.47Å; V166-V170 PolarHBondContact O-N 2.75Å; K167-V170 PolarHBondContact O-N 3.38Å; V170-L201 HydrophobicContact CB-CD1 4.4Å; V170-L201 HydrophobicContact CG2-CD1 3.7Å; V170-L205 HydrophobicContact CG2-CD1 4.46Å; V170-L205 HydrophobicContact CG2-CD2 3.99Å; V170-L205 HydrophobicContact CG2-CG 4.43Å
171	E	95.4	Very high	93.2	Very high	135 Å²	135	72 Å²	72	63%	0.631	36%	0.364	S	S	*	.	H	α-helix	trans	-80	-35.7	-176.8	-69.7	175.3	174.7	0	0	112.6	K167 H168	K167-E171 WeakPolarHBondContact CE-OE1 3.24Å; K167-E171 HydrophobicContact CG-CG 4.41Å; K167-E171 WeakPolarHBondContact CG-OE1 3.42Å; K167-E171 WeakPolarHBondContact O-CB 3.31Å; K167-E171 WeakPolarHBondContact O-CG 3.5Å; K167-E171 PolarHBondContact O-N 3.43Å; H168-E171 PolarHBondContact O-N 3.27Å
172	S	95.6	Very high	93.4	Very high	71 Å²	71	69.3 Å²	69.3	50%	0.497	35%	0.35	S	S	.	.	H	α-helix	trans	-106.5	-20.8	-170.3	-51	0	0	0	0	114.5	H168	H168-S172 VanDerWaalsContact O-CB 3.22Å; H168-S172 WeakPolarHBondContact O-CB 3.47Å; H168-S172 PolarHBondContact O-N 3.38Å; H168-S172 PolarHBondContact O-OG 3.35Å
173	H	94.8	Very high	93.6	Very high	31 Å²	31	68.5 Å²	68.5	14%	0.144	35%	0.348	C	S	.	.			trans	-135.5	30.4	-169.8	-61.4	-72.8	0	0	0	113.5	Y154 H168 C169 S175 D176	Y154-H173 VanDerWaalsContact CB-CE1 3.44Å; Y154-H173 WeakPolarHBondContact CB-CE1 3.31Å; Y154-H173 HydrophobicContact CD2-CB 3.57Å; Y154-H173 AromaticContact CD2-CD2 3.8Å; Y154-H173 AromaticContact CD2-CG 3.48Å; Y154-H173 VanDerWaalsContact CD2-CG 3.48Å; Y154-H173 AromaticContact CD2-ND1 3.94Å; Y154-H173 HydrophobicContact CE2-CB 3.77Å; Y154-H173 HydrophobicContact CG-CB 4.31Å; Y154-H173 AromaticContact CG-CG 3.92Å; Y154-H173 AromaticContact CG-ND1 3.88Å; H168-H173 AromaticContact NE2-CD2 3.78Å; H168-H173 AromaticContact NE2-NE2 3.64Å; C169-H173 CarbonylContact O-C 3.54Å; C169-H173 WeakPolarHBondContact O-CA 3.32Å; C169-H173 WeakPolarHBondContact O-CB 3.45Å; C169-H173 PolarHBondContact O-N 2.94Å; H173-S175 PolarHBondContact O-N 3.19Å; H173-D176 HydrophobicContact CB-CB 4.16Å; H173-D176 IonicContact ND1-OD2 3.62Å; H173-D176 PolarHBondContact O-N 3.26Å
174	R	91.1	Very high	93.6	Very high	184 Å²	184	63.8 Å²	63.8	69%	0.694	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-30.4	-173.3	-164	177.6	-177.1	96.4	-0.5	115	L201	R174-L201 HydrophobicContact CG-CD2 4.3Å
175	S	89.1	Confident	93.6	Very high	115 Å²	115	61 Å²	61	80%	0.804	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.2	25.6	-174.9	-56.2	0	0	0	0	112.9	H173 P177	H173-S175 PolarHBondContact O-N 3.19Å; S175-P177 WeakPolarHBondContact O-CD 3.13Å
176	D	89.6	Confident	93.5	Very high	49 Å²	49	62.9 Å²	62.9	26%	0.262	33%	0.331	S	S	.	.			trans	-71.8	123.6	177.3	-162.4	-46.6	0	0	0	110.6	Y154 H173 N178	Y154-D176 HydrophobicContact CD1-CB 4.22Å; Y154-D176 HydrophobicContact CE1-CB 3.93Å; Y154-D176 HydrophobicContact CE2-CB 4.47Å; H173-D176 HydrophobicContact CB-CB 4.16Å; H173-D176 IonicContact ND1-OD2 3.62Å; H173-D176 PolarHBondContact O-N 3.26Å; D176-N178 VanDerWaalsContact C-N 3.33Å; D176-N178 VanDerWaalsContact OD1-CB 3.27Å; D176-N178 WeakPolarHBondContact OD1-CB 3.4Å; D176-N178 PolarHBondContact OD1-N 3.25Å; D176-N178 PolarHBondContact OD1-ND2 2.96Å
177	P	88.2	Confident	93.4	Very high	116 Å²	116	62.6 Å²	62.6	75%	0.753	33%	0.33	S	S	*	.			trans	-82.7	-7.2	-177.4	34	-36.6	0	0	0	113.9	S175	S175-P177 WeakPolarHBondContact O-CD 3.13Å
178	N	91.9	Very high	93	Very high	100 Å²	100	61 Å²	61	54%	0.535	33%	0.325	S	S	.	.			trans	-70.6	135.1	-171.9	-69	-60.7	0	0	0	112.2	Y154 D176	Y154-N178 HydrophobicContact CD1-CB 4.33Å; Y154-N178 HydrophobicContact CE1-CB 4.1Å; D176-N178 VanDerWaalsContact C-N 3.33Å; D176-N178 VanDerWaalsContact OD1-CB 3.27Å; D176-N178 WeakPolarHBondContact OD1-CB 3.4Å; D176-N178 PolarHBondContact OD1-N 3.25Å; D176-N178 PolarHBondContact OD1-ND2 2.96Å
179	R	94.5	Very high	92.4	Very high	169 Å²	169	63.8 Å²	63.8	64%	0.638	35%	0.346	S	S	*	.			trans	-83.5	119.6	174.2	-61	-172.6	-178	-157.6	1.8	110.1	K196	R179-K196 HydrophobicContact CB-CB 4.06Å
180	V	95.5	Very high	91.9	Very high	17 Å²	17	73.5 Å²	73.5	10%	0.103	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	151.9	-175.5	-66.9	0	0	0	0	111.4	P153 Y154 S197 F200	P153-V180 HydrophobicContact CB-CB 3.72Å; P153-V180 HydrophobicContact CB-CG1 3.95Å; P153-V180 HydrophobicContact CB-CG2 4.14Å; P153-V180 HydrophobicContact CG-CB 3.85Å; P153-V180 HydrophobicContact CG-CG1 4.27Å; P153-V180 HydrophobicContact CG-CG2 3.67Å; Y154-V180 HydrophobicContact CD1-CG1 3.86Å; Y154-V180 HydrophobicContact CE1-CB 4.49Å; Y154-V180 HydrophobicContact CE1-CG1 3.73Å; Y154-V180 HydrophobicContact CE1-CG2 3.89Å; V180-S197 PolarHBondContact O-N 2.94Å; V180-F200 HydrophobicContact CG2-CB 3.48Å; V180-F200 VanDerWaalsContact CG2-CB 3.48Å; V180-F200 HydrophobicContact CG2-CD1 3.67Å; V180-F200 HydrophobicContact CG2-CD2 3.96Å; V180-F200 HydrophobicContact CG2-CE1 4.38Å; V180-F200 HydrophobicContact CG2-CG 3.41Å; V180-F200 VanDerWaalsContact CG2-CG 3.41Å
181	V	95.5	Very high	91.5	Very high	36 Å²	36	72.8 Å²	72.8	22%	0.218	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	134.8	171.1	-179.5	0	0	0	0	108	P183 P193 Y195 K196	V181-P183 VanDerWaalsContact O-CD 3.3Å; V181-P183 WeakPolarHBondContact O-CD 3.45Å; V181-P193 WeakPolarHBondContact CG2-O 3.35Å; V181-Y195 WeakPolarHBondContact CA-O 3.35Å; V181-K196 HydrophobicContact CG2-CG 3.9Å
182	C	95.1	Very high	91.3	Very high	6 Å²	6	70.5 Å²	70.5	4%	0.041	38%	0.375	C	S	.	.			trans	-73.2	115.6	174	177.2	0	0	0	0	109.4	I184 C185 S186 F200 H203	C182-I184 PolarHBondContact O-N 3.41Å; C182-C185 HydrophobicContact CB-CB 3.98Å; C182-C185 PolarHBondContact O-N 3.2Å; C182-S186 PolarHBondContact O-N 3.16Å; C182-S186 PolarHBondContact O-OG 3.15Å; C182-F200 HydrophobicContact CB-CD2 4.1Å; C182-F200 HydrophobicContact CB-CE2 3.82Å; C182-H203 WeakPolarHBondContact CB-NE2 3.37Å; C182-H203 PolarHBondContact SG-NE2 3.13Å
183	P	94.6	Very high	91.1	Very high	22 Å²	22	71.3 Å²	71.3	14%	0.143	38%	0.378	C	S	.	.	H	α-helix	trans	-63.8	-29.6	-176.6	27.3	-35.8	0	0	0	112.2	F150 L165 V181 S186 A187	F150-P183 HydrophobicContact CB-CB 4.12Å; F150-P183 HydrophobicContact CB-CG 4Å; F150-P183 HydrophobicContact CD1-CB 3.97Å; F150-P183 HydrophobicContact CD1-CG 4.45Å; F150-P183 HydrophobicContact CG-CB 4.39Å; F150-P183 HydrophobicContact CG-CG 4.44Å; L165-P183 HydrophobicContact CD2-CG 3.78Å; V181-P183 VanDerWaalsContact O-CD 3.3Å; V181-P183 WeakPolarHBondContact O-CD 3.45Å; P183-S186 VanDerWaalsContact CA-OG 3.31Å; P183-S186 WeakPolarHBondContact CA-OG 3.48Å; P183-S186 PolarHBondContact O-OG 3.22Å; P183-A187 WeakPolarHBondContact O-CB 3.14Å; P183-A187 PolarHBondContact O-N 3.1Å; P183-A187 VanDerWaalsContact O-N 3.15Å
184	I	92.9	Very high	91	Very high	7 Å²	7	74.3 Å²	74.3	4%	0.036	40%	0.403	C	S	.	.	H	α-helix	trans	-68.1	-52.9	176.6	-49.3	178.4	0	0	0	109.9	F150 Q162 L165 C182 S186 A187 M188 L204 H208	F150-I184 HydrophobicContact CD1-CG1 4.17Å; F150-I184 HydrophobicContact CD2-CD1 4.46Å; F150-I184 HydrophobicContact CD2-CG1 3.86Å; F150-I184 HydrophobicContact CE1-CB 4.26Å; F150-I184 HydrophobicContact CE1-CG1 4.08Å; F150-I184 HydrophobicContact CE1-CG2 4.5Å; F150-I184 HydrophobicContact CE2-CD1 4.36Å; F150-I184 HydrophobicContact CE2-CG1 3.77Å; F150-I184 HydrophobicContact CE2-CG2 4.46Å; F150-I184 HydrophobicContact CG-CG1 4.05Å; F150-I184 HydrophobicContact CZ-CB 4.16Å; F150-I184 HydrophobicContact CZ-CG1 3.87Å; F150-I184 HydrophobicContact CZ-CG2 4.01Å; Q162-I184 HydrophobicContact CB-CD1 4.3Å; Q162-I184 HydrophobicContact CG-CD1 3.89Å; L165-I184 HydrophobicContact CD2-CD1 4.02Å; L165-I184 HydrophobicContact CD2-CG1 4.05Å; C182-I184 PolarHBondContact O-N 3.41Å; I184-S186 PolarHBondContact O-N 2.97Å; I184-A187 PolarHBondContact O-N 2.99Å; I184-A187 VanDerWaalsContact O-N 3.16Å; I184-M188 WeakPolarHBondContact O-CG 3.37Å; I184-M188 PolarHBondContact O-N 2.9Å; I184-L204 HydrophobicContact CD1-CD1 3.84Å; I184-H208 HydrophobicContact CD1-CB 3.8Å; I184-H208 VanDerWaalsContact CG2-CE1 3.47Å; I184-H208 WeakPolarHBondContact CG2-CE1 3.47Å
185	C	92.8	Very high	91.1	Very high	40 Å²	40	73 Å²	73	27%	0.27	40%	0.399	S	S	.	.	H	α-helix	trans	-59.4	-46.1	177.4	-68.9	0	0	0	0	111.6	C182 A187 M188 G191 H203 H208	C182-C185 HydrophobicContact CB-CB 3.98Å; C182-C185 PolarHBondContact O-N 3.2Å; C185-A187 PolarHBondContact O-N 2.91Å; C185-M188 WeakPolarHBondContact O-CB 3.31Å; C185-M188 PolarHBondContact O-N 3.46Å; C185-G191 WeakPolarHBondContact O-CA 3.38Å; C185-H203 PolarHBondContact SG-CE1 3.43Å; C185-H203 PolarHBondContact SG-NE2 2.87Å; C185-H203 VanDerWaalsContact SG-NE2 3.38Å; C185-H208 PolarHBondContact SG-NE2 3.18Å; C185-H208 VanDerWaalsContact SG-NE2 3.35Å
186	S	93	Very high	91.3	Very high	40 Å²	40	73.9 Å²	73.9	28%	0.28	39%	0.389	S	S	.	.	H	α-helix	trans	-63.9	-22.3	-179.8	60.6	0	0	0	0	113.6	C182 P183 I184	C182-S186 PolarHBondContact O-N 3.16Å; C182-S186 PolarHBondContact O-OG 3.15Å; P183-S186 VanDerWaalsContact CA-OG 3.31Å; P183-S186 WeakPolarHBondContact CA-OG 3.48Å; P183-S186 PolarHBondContact O-OG 3.22Å; I184-S186 PolarHBondContact O-N 2.97Å
187	A	90.7	Very high	91.4	Very high	9 Å²	9	72.1 Å²	72.1	7%	0.074	38%	0.38	C	S	.	.	H	α-helix	trans	-81.1	-14	174.3	0	0	0	0	0	112.9	P145 R147 F150 P183 I184 C185	P145-A187 HydrophobicContact CB-CB 4.5Å; R147-A187 HydrophobicContact CG-CB 4.32Å; R147-A187 PolarHBondContact NH1-O 3.07Å; R147-A187 VanDerWaalsContact NH1-O 3.1Å; R147-A187 PolarHBondContact NH2-O 2.87Å; F150-A187 HydrophobicContact CE1-CB 4.01Å; P183-A187 WeakPolarHBondContact O-CB 3.14Å; P183-A187 PolarHBondContact O-N 3.1Å; P183-A187 VanDerWaalsContact O-N 3.15Å; I184-A187 PolarHBondContact O-N 2.99Å; I184-A187 VanDerWaalsContact O-N 3.16Å; C185-A187 PolarHBondContact O-N 2.91Å
188	M	87	Confident	91.4	Very high	61 Å²	61	70.1 Å²	70.1	30%	0.3	37%	0.374	S	S	.	.	S	Bend	trans	-74.8	150.3	177.5	-59.8	-55.1	-75.3	0	0	111.8	I184 C185 W190 G191	I184-M188 WeakPolarHBondContact O-CG 3.37Å; I184-M188 PolarHBondContact O-N 2.9Å; C185-M188 WeakPolarHBondContact O-CB 3.31Å; C185-M188 PolarHBondContact O-N 3.46Å; M188-W190 HydrophobicContact CB-CD2 4.33Å; M188-W190 HydrophobicContact CB-CZ2 4.46Å; M188-W190 HydrophobicContact CE-CH2 3.46Å; M188-W190 VanDerWaalsContact CE-CH2 3.46Å; M188-W190 HydrophobicContact CE-CZ2 3.24Å; M188-W190 HydrophobicContact CE-CZ3 4.38Å; M188-W190 PolarHBondContact O-N 3.25Å; M188-G191 PolarHBondContact O-N 3.48Å
189	P	83.5	Confident	91.3	Very high	94 Å²	94	70 Å²	70	61%	0.61	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.7	179.8	-14.5	29.1	0	0	0	113.2
190	W	85.5	Confident	91.3	Very high	204 Å²	204	62 Å²	62	77%	0.773	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	12.7	176.2	55.5	85	0	0	0	112.9	M188	M188-W190 HydrophobicContact CB-CD2 4.33Å; M188-W190 HydrophobicContact CB-CZ2 4.46Å; M188-W190 HydrophobicContact CE-CH2 3.46Å; M188-W190 VanDerWaalsContact CE-CH2 3.46Å; M188-W190 HydrophobicContact CE-CZ2 3.24Å; M188-W190 HydrophobicContact CE-CZ3 4.38Å; M188-W190 PolarHBondContact O-N 3.25Å
191	G	86.1	Confident	91.1	Very high	23 Å²	23	62.2 Å²	62.2	24%	0.237	34%	0.343	C	S	.	.			trans	-79.1	146.5	177.6	0	0	0	0	0	112.9	C185 M188 P193	C185-G191 WeakPolarHBondContact O-CA 3.38Å; M188-G191 PolarHBondContact O-N 3.48Å; G191-P193 WeakPolarHBondContact O-CD 3.46Å
192	D	89.5	Confident	91	Very high	86 Å²	86	64.5 Å²	64.5	46%	0.46	35%	0.351	S	S	.	.			trans	-102.9	111.1	169.9	178.3	5.1	0	0	0	110.4	S194 Y195	D192-S194 PolarHBondContact O-N 3.39Å; D192-S194 WeakPolarHBondContact OD1-CA 3.47Å; D192-S194 WeakPolarHBondContact OD1-CB 3.02Å; D192-S194 PolarHBondContact OD1-N 2.78Å; D192-Y195 PolarHBondContact O-N 3.28Å
193	P	91.8	Very high	91	Very high	88 Å²	88	66 Å²	66	57%	0.571	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-15	175.9	-22.9	34.8	0	0	0	114.9	V181 G191	V181-P193 WeakPolarHBondContact CG2-O 3.35Å; G191-P193 WeakPolarHBondContact O-CD 3.46Å
194	S	92.4	Very high	90.9	Very high	95 Å²	95	64.9 Å²	64.9	66%	0.664	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-11.3	178.4	-56.8	0	0	0	0	113	D192 K196	D192-S194 PolarHBondContact O-N 3.39Å; D192-S194 WeakPolarHBondContact OD1-CA 3.47Å; D192-S194 WeakPolarHBondContact OD1-CB 3.02Å; D192-S194 PolarHBondContact OD1-N 2.78Å; S194-K196 PolarHBondContact O-N 3.42Å
195	Y	93.9	Very high	90.9	Very high	156 Å²	156	67.3 Å²	67.3	61%	0.612	36%	0.363	S	S	*	.			trans	-76.8	106.2	-175.2	-173.5	-94.5	0	0	0	111.9	V181 D192	V181-Y195 WeakPolarHBondContact CA-O 3.35Å; D192-Y195 PolarHBondContact O-N 3.28Å
196	K	93.7	Very high	90.7	Very high	133 Å²	133	71 Å²	71	58%	0.578	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	119	175.9	-61.2	-177.6	-179.3	-176.5	0	110.5	R179 V181 S194	R179-K196 HydrophobicContact CB-CB 4.06Å; V181-K196 HydrophobicContact CG2-CG 3.9Å; S194-K196 PolarHBondContact O-N 3.42Å
197	S	91.1	Very high	90.6	Very high	12 Å²	12	77 Å²	77	8%	0.084	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	134.6	176.2	-175.1	0	0	0	0	110.8	V180 N199 F200	V180-S197 PolarHBondContact O-N 2.94Å; S197-N199 VanDerWaalsContact C-N 3.3Å; S197-N199 VanDerWaalsContact OG-C 3.26Å; S197-N199 PolarHBondContact OG-N 3.44Å; S197-N199 PolarHBondContact OG-O 3.47Å; S197-F200 PolarHBondContact OG-N 2.93Å
198	A	87.5	Confident	90.6	Very high	75 Å²	75	77.5 Å²	77.5	62%	0.62	39%	0.394	S	S	*	.	S	Bend	trans	-72.6	-25.8	173.5	0	0	0	0	0	112.5
199	N	90.6	Very high	90.6	Very high	96 Å²	96	82 Å²	82	51%	0.513	41%	0.411	S	S	.	.	S	Bend	trans	-141.4	82.6	174.6	-173.4	-20.6	0	0	0	108.6	S197 L201 Q202 H203	S197-N199 VanDerWaalsContact C-N 3.3Å; S197-N199 VanDerWaalsContact OG-C 3.26Å; S197-N199 PolarHBondContact OG-N 3.44Å; S197-N199 PolarHBondContact OG-O 3.47Å; N199-L201 VanDerWaalsContact C-N 3.33Å; N199-L201 PolarHBondContact O-N 3.38Å; N199-Q202 HydrophobicContact CB-CB 4.3Å; N199-Q202 VanDerWaalsContact CG-CB 3.44Å; N199-Q202 WeakPolarHBondContact ND2-CB 3.12Å; N199-Q202 VanDerWaalsContact OD1-CB 3.31Å; N199-Q202 WeakPolarHBondContact OD1-CB 3.31Å; N199-Q202 PolarHBondContact OD1-N 3.36Å; N199-H203 VanDerWaalsContact O-CB 3.32Å; N199-H203 WeakPolarHBondContact O-CB 3.49Å; N199-H203 PolarHBondContact O-N 2.9Å
200	F	94.1	Very high	90.5	Very high	3 Å²	3	82.3 Å²	82.3	1%	0.013	40%	0.404	C	S	.	.	H	α-helix	trans	-62.1	-39.4	-175.6	171.1	-112.2	0	0	0	112.4	P153 Y154 C169 V180 C182 S197 H203 L204	P153-F200 HydrophobicContact CG-CD1 4.33Å; P153-F200 HydrophobicContact CG-CE1 3.79Å; P153-F200 HydrophobicContact CG-CZ 3.9Å; Y154-F200 HydrophobicContact CD2-CD1 4.41Å; Y154-F200 AromaticContact CE2-CD1 3.49Å; Y154-F200 HydrophobicContact CE2-CD1 3.49Å; Y154-F200 VanDerWaalsContact CE2-CD1 3.49Å; Y154-F200 AromaticContact CE2-CE1 3.96Å; Y154-F200 HydrophobicContact CE2-CE1 3.96Å; Y154-F200 AromaticContact CZ-CD1 3.77Å; C169-F200 HydrophobicContact CB-CE1 4.49Å; V180-F200 HydrophobicContact CG2-CB 3.48Å; V180-F200 VanDerWaalsContact CG2-CB 3.48Å; V180-F200 HydrophobicContact CG2-CD1 3.67Å; V180-F200 HydrophobicContact CG2-CD2 3.96Å; V180-F200 HydrophobicContact CG2-CE1 4.38Å; V180-F200 HydrophobicContact CG2-CG 3.41Å; V180-F200 VanDerWaalsContact CG2-CG 3.41Å; C182-F200 HydrophobicContact CB-CD2 4.1Å; C182-F200 HydrophobicContact CB-CE2 3.82Å; S197-F200 PolarHBondContact OG-N 2.93Å; F200-H203 WeakPolarHBondContact O-CB 3.14Å; F200-H203 PolarHBondContact O-N 3.47Å; F200-L204 HydrophobicContact CE1-CD2 4.22Å; F200-L204 HydrophobicContact CE2-CD1 4.33Å; F200-L204 HydrophobicContact CZ-CD1 4.23Å; F200-L204 HydrophobicContact CZ-CD2 4.04Å; F200-L204 VanDerWaalsContact O-CB 3.31Å; F200-L204 WeakPolarHBondContact O-CB 3.47Å; F200-L204 PolarHBondContact O-N 3.39Å
201	L	92.8	Very high	90	Very high	21 Å²	21	73.5 Å²	73.5	11%	0.11	37%	0.373	C	S	.	.	H	α-helix	trans	-64.5	-46.4	-178.8	-172	64.6	0	0	0	112.2	C169 V170 R174 N199 H203 L204 L205	C169-L201 HydrophobicContact CB-CD1 3.95Å; V170-L201 HydrophobicContact CB-CD1 4.4Å; V170-L201 HydrophobicContact CG2-CD1 3.7Å; R174-L201 HydrophobicContact CG-CD2 4.3Å; N199-L201 VanDerWaalsContact C-N 3.33Å; N199-L201 PolarHBondContact O-N 3.38Å; L201-H203 VanDerWaalsContact C-N 3.34Å; L201-L204 PolarHBondContact O-N 3.49Å; L201-L205 HydrophobicContact CG-CD1 4.43Å; L201-L205 WeakPolarHBondContact O-CG 3.38Å; L201-L205 PolarHBondContact O-N 2.82Å
202	Q	92.8	Very high	89.3	Confident	83 Å²	83	80 Å²	80	39%	0.388	39%	0.391	S	S	.	.	H	α-helix	trans	-66.6	-39.4	177.6	-170.3	69	-5.6	0	0	111.6	N199 L204 L205 H206	N199-Q202 HydrophobicContact CB-CB 4.3Å; N199-Q202 VanDerWaalsContact CG-CB 3.44Å; N199-Q202 WeakPolarHBondContact ND2-CB 3.12Å; N199-Q202 VanDerWaalsContact OD1-CB 3.31Å; N199-Q202 WeakPolarHBondContact OD1-CB 3.31Å; N199-Q202 PolarHBondContact OD1-N 3.36Å; Q202-L204 VanDerWaalsContact C-N 3.33Å; Q202-L204 PolarHBondContact O-N 3.19Å; Q202-L205 PolarHBondContact O-N 2.96Å; Q202-H206 PolarHBondContact NE2-CE1 3.26Å; Q202-H206 PolarHBondContact NE2-NE2 3.46Å; Q202-H206 WeakPolarHBondContact O-CB 3.1Å; Q202-H206 PolarHBondContact O-N 2.87Å
203	H	94.2	Very high	88.4	Confident	37 Å²	37	81.9 Å²	81.9	17%	0.171	40%	0.401	C	S	.	.	H	α-helix	trans	-57	-47.2	172.9	162.4	81.1	0	0	0	111.4	C182 C185 N199 F200 L201 L205 H206 R207 H208	C182-H203 WeakPolarHBondContact CB-NE2 3.37Å; C182-H203 PolarHBondContact SG-NE2 3.13Å; C185-H203 PolarHBondContact SG-CE1 3.43Å; C185-H203 PolarHBondContact SG-NE2 2.87Å; C185-H203 VanDerWaalsContact SG-NE2 3.38Å; N199-H203 VanDerWaalsContact O-CB 3.32Å; N199-H203 WeakPolarHBondContact O-CB 3.49Å; N199-H203 PolarHBondContact O-N 2.9Å; F200-H203 WeakPolarHBondContact O-CB 3.14Å; F200-H203 PolarHBondContact O-N 3.47Å; L201-H203 VanDerWaalsContact C-N 3.34Å; H203-L205 PolarHBondContact O-N 3.02Å; H203-H206 PolarHBondContact O-N 3.13Å; H203-R207 WeakPolarHBondContact O-CB 3.38Å; H203-R207 PolarHBondContact O-N 3.42Å; H203-H208 AromaticContact CE1-NE2 3.91Å; H203-H208 AromaticContact NE2-CD2 3.7Å; H203-H208 AromaticContact NE2-NE2 3.43Å; H203-H208 PolarHBondContact NE2-NE2 2.75Å
204	L	93.3	Very high	87.4	Confident	0 Å²	0	81.8 Å²	81.8	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-62.2	-44.3	179.8	-165.8	68.1	0	0	0	111.3	L165 V166 C169 I184 F200 L201 Q202 H206 H208 K209	L165-L204 HydrophobicContact CD2-CD1 4.23Å; L165-L204 HydrophobicContact CG-CD2 4.33Å; V166-L204 HydrophobicContact CB-CD2 4.32Å; V166-L204 HydrophobicContact CB-CG 4.39Å; V166-L204 HydrophobicContact CG2-CD1 4.17Å; V166-L204 HydrophobicContact CG2-CD2 4.09Å; V166-L204 HydrophobicContact CG2-CG 3.69Å; C169-L204 HydrophobicContact CB-CD2 3.94Å; I184-L204 HydrophobicContact CD1-CD1 3.84Å; F200-L204 HydrophobicContact CE1-CD2 4.22Å; F200-L204 HydrophobicContact CE2-CD1 4.33Å; F200-L204 HydrophobicContact CZ-CD1 4.23Å; F200-L204 HydrophobicContact CZ-CD2 4.04Å; F200-L204 VanDerWaalsContact O-CB 3.31Å; F200-L204 WeakPolarHBondContact O-CB 3.47Å; F200-L204 PolarHBondContact O-N 3.39Å; L201-L204 PolarHBondContact O-N 3.49Å; Q202-L204 VanDerWaalsContact C-N 3.33Å; Q202-L204 PolarHBondContact O-N 3.19Å; L204-H206 PolarHBondContact O-N 3.01Å; L204-H208 HydrophobicContact CD1-CB 3.88Å; L204-H208 CarbonylContact O-C 3.36Å; L204-H208 VanDerWaalsContact O-CA 3.3Å; L204-H208 WeakPolarHBondContact O-CA 3.3Å; L204-H208 WeakPolarHBondContact O-CB 3.45Å; L204-H208 PolarHBondContact O-N 3.16Å; L204-K209 PolarHBondContact O-N 3.36Å; L204-K209 VanDerWaalsContact O-N 3.13Å
205	L	92	Very high	86.4	Confident	57 Å²	57	83 Å²	83	30%	0.298	39%	0.393	S	S	.	.	H	α-helix	trans	-66.5	-33.5	176.4	-71.4	172.1	0	0	0	113.6	V166 V170 L201 Q202 H203 K209	V166-L205 HydrophobicContact CG1-CD2 3.84Å; V170-L205 HydrophobicContact CG2-CD1 4.46Å; V170-L205 HydrophobicContact CG2-CD2 3.99Å; V170-L205 HydrophobicContact CG2-CG 4.43Å; L201-L205 HydrophobicContact CG-CD1 4.43Å; L201-L205 WeakPolarHBondContact O-CG 3.38Å; L201-L205 PolarHBondContact O-N 2.82Å; Q202-L205 PolarHBondContact O-N 2.96Å; H203-L205 PolarHBondContact O-N 3.02Å; L205-K209 WeakPolarHBondContact O-CB 3.28Å
206	H	89.9	Confident	85.6	Confident	117 Å²	117	78.2 Å²	78.2	54%	0.542	38%	0.38	S	S	.	.	H	α-helix	trans	-84.6	-30.6	-179.7	-78.4	-26.9	0	0	0	114.4	Q202 H203 L204	Q202-H206 PolarHBondContact NE2-CE1 3.26Å; Q202-H206 PolarHBondContact NE2-NE2 3.46Å; Q202-H206 WeakPolarHBondContact O-CB 3.1Å; Q202-H206 PolarHBondContact O-N 2.87Å; H203-H206 PolarHBondContact O-N 3.13Å; L204-H206 PolarHBondContact O-N 3.01Å
207	R	89.8	Confident	84.9	Confident	168 Å²	168	76 Å²	76	63%	0.634	37%	0.374	S	S	*	.	H	α-helix	trans	-109.6	-22.8	-172.8	-60.9	-65.3	129.3	83.5	-1.8	113.7	H203	H203-R207 WeakPolarHBondContact O-CB 3.38Å; H203-R207 PolarHBondContact O-N 3.42Å
208	H	90.6	Very high	84.5	Confident	19 Å²	19	83.4 Å²	83.4	9%	0.088	40%	0.402	C	S	.	.	S	Bend	trans	-131.2	3.8	-169.4	-57.1	-59.1	0	0	0	113.8	Q162 I184 C185 H203 L204 F210	Q162-H208 HydrophobicContact CG-CB 4.13Å; Q162-H208 WeakPolarHBondContact CG-O 3.37Å; Q162-H208 PolarHBondContact NE2-O 3.29Å; I184-H208 HydrophobicContact CD1-CB 3.8Å; I184-H208 VanDerWaalsContact CG2-CE1 3.47Å; I184-H208 WeakPolarHBondContact CG2-CE1 3.47Å; C185-H208 PolarHBondContact SG-NE2 3.18Å; C185-H208 VanDerWaalsContact SG-NE2 3.35Å; H203-H208 AromaticContact CE1-NE2 3.91Å; H203-H208 AromaticContact NE2-CD2 3.7Å; H203-H208 AromaticContact NE2-NE2 3.43Å; H203-H208 PolarHBondContact NE2-NE2 2.75Å; L204-H208 HydrophobicContact CD1-CB 3.88Å; L204-H208 CarbonylContact O-C 3.36Å; L204-H208 VanDerWaalsContact O-CA 3.3Å; L204-H208 WeakPolarHBondContact O-CA 3.3Å; L204-H208 WeakPolarHBondContact O-CB 3.45Å; L204-H208 PolarHBondContact O-N 3.16Å; H208-F210 PolarHBondContact O-N 3.13Å
209	K	86.9	Confident	84.5	Confident	155 Å²	155	84.7 Å²	84.7	67%	0.674	41%	0.406	S	S	*	.	S	Bend	trans	-64.2	-29.6	168.4	-176.2	178.9	178.4	-172.2	0	111.9	L204 L205	L204-K209 PolarHBondContact O-N 3.36Å; L204-K209 VanDerWaalsContact O-N 3.13Å; L205-K209 WeakPolarHBondContact O-CB 3.28Å
210	F	81.7	Confident	84.3	Confident	101 Å²	101	83.5 Å²	83.5	44%	0.443	40%	0.399	S	S	.	.	S	Bend	trans	-107.9	132.5	179.9	-175	-94.7	0	0	0	110	Q162 H208 Y212 F215	Q162-F210 PolarHBondContact NE2-O 3.28Å; H208-F210 PolarHBondContact O-N 3.13Å; F210-Y212 HydrophobicContact CD1-CD2 4.48Å; F210-F215 HydrophobicContact CD1-CD2 4.21Å; F210-F215 HydrophobicContact CD2-CB 4.39Å; F210-F215 AromaticContact CD2-CD2 3.23Å; F210-F215 HydrophobicContact CD2-CD2 3.23Å; F210-F215 AromaticContact CD2-CE2 3.53Å; F210-F215 HydrophobicContact CD2-CE2 3.53Å; F210-F215 AromaticContact CD2-CG 3.87Å; F210-F215 HydrophobicContact CD2-CG 3.87Å; F210-F215 HydrophobicContact CD2-CZ 4.34Å; F210-F215 HydrophobicContact CE1-CB 3.99Å; F210-F215 HydrophobicContact CE1-CD2 4.09Å; F210-F215 HydrophobicContact CE1-CG 4.43Å; F210-F215 HydrophobicContact CE2-CB 3.4Å; F210-F215 AromaticContact CE2-CD1 3.98Å; F210-F215 HydrophobicContact CE2-CD1 3.98Å; F210-F215 AromaticContact CE2-CD2 3.1Å; F210-F215 HydrophobicContact CE2-CD2 3.1Å; F210-F215 AromaticContact CE2-CE2 3.81Å; F210-F215 HydrophobicContact CE2-CE2 3.81Å; F210-F215 AromaticContact CE2-CG 3.22Å; F210-F215 HydrophobicContact CE2-CG 3.22Å; F210-F215 HydrophobicContact CE2-CZ 4.48Å; F210-F215 AromaticContact CG-CD2 3.83Å; F210-F215 HydrophobicContact CG-CD2 3.83Å; F210-F215 HydrophobicContact CG-CE2 4.18Å; F210-F215 HydrophobicContact CZ-CB 3.16Å; F210-F215 AromaticContact CZ-CD2 3.59Å; F210-F215 HydrophobicContact CZ-CD2 3.59Å; F210-F215 AromaticContact CZ-CG 3.57Å; F210-F215 HydrophobicContact CZ-CG 3.57Å
211	S	74.4	Confident	84.2	Confident	18 Å²	18	88.2 Å²	88.2	13%	0.126	42%	0.424	C	S	.	.			trans	-110.2	117.1	176.8	177.7	0	0	0	0	109.7	D213 T214 F215	S211-D213 VanDerWaalsContact C-N 3.3Å; S211-D213 PolarHBondContact O-N 3.07Å; S211-T214 WeakPolarHBondContact CB-OG1 3.43Å; S211-T214 PolarHBondContact O-N 3.33Å; S211-T214 PolarHBondContact OG-OG1 3.26Å; S211-F215 WeakPolarHBondContact O-CD2 3.33Å; S211-F215 PolarHBondContact O-N 3.45Å
212	Y	71.2	Confident	83.9	Confident	159 Å²	159	95.8 Å²	95.8	62%	0.624	46%	0.459	S	S	*	.	H	α-helix	trans	-55.1	-45.3	-179.7	-84.2	-93.9	0	0	0	112	F210 T214 F215 V216	F210-Y212 HydrophobicContact CD1-CD2 4.48Å; Y212-T214 PolarHBondContact O-N 2.82Å; Y212-T214 VanDerWaalsContact O-N 3.08Å; Y212-F215 PolarHBondContact O-N 2.59Å; Y212-F215 VanDerWaalsContact O-N 3.13Å; Y212-V216 HydrophobicContact CD1-CG2 3.76Å; Y212-V216 HydrophobicContact CE1-CG2 4.49Å; Y212-V216 WeakPolarHBondContact O-CB 3.15Å; Y212-V216 PolarHBondContact O-N 3.08Å
213	D	71.2	Confident	83.9	Confident	126 Å²	126	96.9 Å²	96.9	67%	0.674	46%	0.464	S	S	*	.	H	α-helix	trans	-65.1	-16.9	-178.6	-61.3	-40.2	0	0	0	113.9	S211 Y218	S211-D213 VanDerWaalsContact C-N 3.3Å; S211-D213 PolarHBondContact O-N 3.07Å; D213-Y218 PolarHBondContact OD1-OH 2.74Å
214	T	70.9	Confident	83.8	Confident	86 Å²	86	96.5 Å²	96.5	53%	0.528	47%	0.468	S	S	.	.	H	α-helix	trans	-90.9	-29.4	177.5	-49.8	0	0	0	0	112.5	S211 Y212	S211-T214 WeakPolarHBondContact CB-OG1 3.43Å; S211-T214 PolarHBondContact O-N 3.33Å; S211-T214 PolarHBondContact OG-OG1 3.26Å; Y212-T214 PolarHBondContact O-N 2.82Å; Y212-T214 VanDerWaalsContact O-N 3.08Å
215	F	72.6	Confident	83.6	Confident	122 Å²	122	98.4 Å²	98.4	54%	0.535	48%	0.483	S	S	.	.	H	α-helix	trans	-116.1	-13.4	-169.2	-65.1	-70.4	0	0	0	114.2	F210 S211 Y212	F210-F215 HydrophobicContact CD1-CD2 4.21Å; F210-F215 HydrophobicContact CD2-CB 4.39Å; F210-F215 AromaticContact CD2-CD2 3.23Å; F210-F215 HydrophobicContact CD2-CD2 3.23Å; F210-F215 AromaticContact CD2-CE2 3.53Å; F210-F215 HydrophobicContact CD2-CE2 3.53Å; F210-F215 AromaticContact CD2-CG 3.87Å; F210-F215 HydrophobicContact CD2-CG 3.87Å; F210-F215 HydrophobicContact CD2-CZ 4.34Å; F210-F215 HydrophobicContact CE1-CB 3.99Å; F210-F215 HydrophobicContact CE1-CD2 4.09Å; F210-F215 HydrophobicContact CE1-CG 4.43Å; F210-F215 HydrophobicContact CE2-CB 3.4Å; F210-F215 AromaticContact CE2-CD1 3.98Å; F210-F215 HydrophobicContact CE2-CD1 3.98Å; F210-F215 AromaticContact CE2-CD2 3.1Å; F210-F215 HydrophobicContact CE2-CD2 3.1Å; F210-F215 AromaticContact CE2-CE2 3.81Å; F210-F215 HydrophobicContact CE2-CE2 3.81Å; F210-F215 AromaticContact CE2-CG 3.22Å; F210-F215 HydrophobicContact CE2-CG 3.22Å; F210-F215 HydrophobicContact CE2-CZ 4.48Å; F210-F215 AromaticContact CG-CD2 3.83Å; F210-F215 HydrophobicContact CG-CD2 3.83Å; F210-F215 HydrophobicContact CG-CE2 4.18Å; F210-F215 HydrophobicContact CZ-CB 3.16Å; F210-F215 AromaticContact CZ-CD2 3.59Å; F210-F215 HydrophobicContact CZ-CD2 3.59Å; F210-F215 AromaticContact CZ-CG 3.57Å; F210-F215 HydrophobicContact CZ-CG 3.57Å; S211-F215 WeakPolarHBondContact O-CD2 3.33Å; S211-F215 PolarHBondContact O-N 3.45Å; Y212-F215 PolarHBondContact O-N 2.59Å; Y212-F215 VanDerWaalsContact O-N 3.13Å
216	V	76.6	Confident	83.5	Confident	55 Å²	55	101.3 Å²	101.3	33%	0.333	49%	0.494	S	S	.	.			trans	-105.4	114.6	177.4	-178.5	0	0	0	0	108.9	Y212 Y218	Y212-V216 HydrophobicContact CD1-CG2 3.76Å; Y212-V216 HydrophobicContact CE1-CG2 4.49Å; Y212-V216 WeakPolarHBondContact O-CB 3.15Å; Y212-V216 PolarHBondContact O-N 3.08Å; V216-Y218 HydrophobicContact CG1-CD1 4.08Å; V216-Y218 HydrophobicContact CG1-CE1 3.94Å; V216-Y218 PolarHBondContact O-N 2.86Å
217	D	79.6	Confident	83.6	Confident	87 Å²	87	100.9 Å²	100.9	47%	0.465	49%	0.492	S	S	.	.			trans	-83.7	106.3	168.8	-175.9	-5.4	0	0	0	109.1	S219 I220	D217-S219 VanDerWaalsContact CG-OG 3.24Å; D217-S219 PolarHBondContact O-N 3.21Å; D217-S219 WeakPolarHBondContact OD1-CA 3.5Å; D217-S219 VanDerWaalsContact OD1-CB 3.25Å; D217-S219 WeakPolarHBondContact OD1-CB 3.33Å; D217-S219 PolarHBondContact OD1-N 2.77Å; D217-S219 PolarHBondContact OD1-OG 3.03Å; D217-S219 PolarHBondContact OD2-OG 3.28Å; D217-I220 HydrophobicContact CB-CD1 4.1Å; D217-I220 HydrophobicContact CB-CG1 3.99Å; D217-I220 WeakPolarHBondContact O-CG1 3.25Å
218	Y	82.4	Confident	83.6	Confident	167 Å²	167	95.1 Å²	95.1	66%	0.655	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-3.9	178.6	-59.9	-75.3	0	0	0	113.7	D213 V216	D213-Y218 PolarHBondContact OD1-OH 2.74Å; V216-Y218 HydrophobicContact CG1-CD1 4.08Å; V216-Y218 HydrophobicContact CG1-CE1 3.94Å; V216-Y218 PolarHBondContact O-N 2.86Å
219	S	86.9	Confident	83.4	Confident	101 Å²	101	96.5 Å²	96.5	71%	0.706	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-9	179.7	75.1	0	0	0	0	114	D217	D217-S219 VanDerWaalsContact CG-OG 3.24Å; D217-S219 PolarHBondContact O-N 3.21Å; D217-S219 WeakPolarHBondContact OD1-CA 3.5Å; D217-S219 VanDerWaalsContact OD1-CB 3.25Å; D217-S219 WeakPolarHBondContact OD1-CB 3.33Å; D217-S219 PolarHBondContact OD1-N 2.77Å; D217-S219 PolarHBondContact OD1-OG 3.03Å; D217-S219 PolarHBondContact OD2-OG 3.28Å
220	I	87	Confident	83.7	Confident	72 Å²	72	93.1 Å²	93.1	37%	0.369	48%	0.484	S	S	.	.	S	Bend	trans	-111.6	152.8	177.3	63.8	175.5	0	0	0	110.6	D217 A224 A225	D217-I220 HydrophobicContact CB-CD1 4.1Å; D217-I220 HydrophobicContact CB-CG1 3.99Å; D217-I220 WeakPolarHBondContact O-CG1 3.25Å; I220-A224 HydrophobicContact CB-CB 4.39Å; I220-A225 HydrophobicContact CD1-CB 3.69Å; I220-A225 HydrophobicContact CG1-CB 4.1Å
221	D	91.1	Very high	84.2	Confident	102 Å²	102	91.1 Å²	91.1	55%	0.545	49%	0.486	S	S	.	.			trans	-73.9	160.2	174.7	68.4	86.8	0	0	0	111.9	E223 A224 A225	D221-E223 VanDerWaalsContact C-N 3.26Å; D221-E223 PolarHBondContact O-N 3.23Å; D221-E223 WeakPolarHBondContact OD1-CA 3.49Å; D221-E223 WeakPolarHBondContact OD1-CB 3.45Å; D221-E223 PolarHBondContact OD1-N 3.46Å; D221-E223 VanDerWaalsContact OD1-N 3.09Å; D221-A224 PolarHBondContact O-N 3.37Å; D221-A224 PolarHBondContact OD1-N 2.94Å; D221-A224 WeakPolarHBondContact OD2-CB 3.35Å; D221-A225 PolarHBondContact O-N 3.27Å
222	E	87.4	Confident	84.8	Confident	180 Å²	180	95.5 Å²	95.5	84%	0.841	51%	0.507	S	S	*	.	H	α-helix	trans	-60.4	-35	-175.3	-64.5	-177.7	114	0	0	112.7	A225 F226	E222-A225 PolarHBondContact O-N 3.23Å; E222-F226 VanDerWaalsContact O-CB 3.26Å; E222-F226 WeakPolarHBondContact O-CB 3.5Å; E222-F226 PolarHBondContact O-N 2.94Å
223	E	92.2	Very high	85.6	Confident	105 Å²	105	91.6 Å²	91.6	49%	0.491	50%	0.503	S	S	.	.	H	α-helix	trans	-71.2	-42.3	179.1	-178.8	62.4	-149.1	0	0	110.4	D221 F226 Q227	D221-E223 VanDerWaalsContact C-N 3.26Å; D221-E223 PolarHBondContact O-N 3.23Å; D221-E223 WeakPolarHBondContact OD1-CA 3.49Å; D221-E223 WeakPolarHBondContact OD1-CB 3.45Å; D221-E223 PolarHBondContact OD1-N 3.46Å; D221-E223 VanDerWaalsContact OD1-N 3.09Å; E223-F226 PolarHBondContact O-N 3.47Å; E223-Q227 WeakPolarHBondContact O-CB 3.36Å; E223-Q227 VanDerWaalsContact O-CG 3.28Å; E223-Q227 WeakPolarHBondContact O-CG 3.43Å; E223-Q227 PolarHBondContact O-N 2.92Å; E223-Q227 PolarHBondContact OE1-NE2 3.11Å
224	A	92.1	Very high	86.6	Confident	30 Å²	30	92.1 Å²	92.1	25%	0.248	51%	0.505	C	S	.	.	H	α-helix	trans	-62.8	-42.3	173.7	0	0	0	0	0	112.1	I220 D221 Q227 A228	I220-A224 HydrophobicContact CB-CB 4.39Å; D221-A224 PolarHBondContact O-N 3.37Å; D221-A224 PolarHBondContact OD1-N 2.94Å; D221-A224 WeakPolarHBondContact OD2-CB 3.35Å; A224-Q227 PolarHBondContact O-N 3.3Å; A224-A228 WeakPolarHBondContact O-CB 3.37Å; A224-A228 PolarHBondContact O-N 2.9Å
225	A	88.2	Confident	87.4	Confident	40 Å²	40	91.8 Å²	91.8	33%	0.331	51%	0.507	S	S	.	.	H	α-helix	trans	-62.4	-43	174.9	0	0	0	0	0	111.6	I220 D221 E222 A228 A229	I220-A225 HydrophobicContact CD1-CB 3.69Å; I220-A225 HydrophobicContact CG1-CB 4.1Å; D221-A225 PolarHBondContact O-N 3.27Å; E222-A225 PolarHBondContact O-N 3.23Å; A225-A228 PolarHBondContact O-N 3.39Å; A225-A229 WeakPolarHBondContact O-CB 3.26Å; A225-A229 PolarHBondContact O-N 3.22Å
226	F	90.5	Very high	87.6	Confident	118 Å²	118	94 Å²	94	52%	0.518	52%	0.519	S	S	.	.	H	α-helix	trans	-63.7	-46.1	176.8	-179.4	-109.8	0	0	0	111.9	E222 E223 A228 A229 L230	E222-F226 VanDerWaalsContact O-CB 3.26Å; E222-F226 WeakPolarHBondContact O-CB 3.5Å; E222-F226 PolarHBondContact O-N 2.94Å; E223-F226 PolarHBondContact O-N 3.47Å; F226-A228 VanDerWaalsContact C-N 3.34Å; F226-A228 PolarHBondContact O-N 2.9Å; F226-A229 PolarHBondContact O-N 2.95Å; F226-L230 HydrophobicContact CD1-CD1 3.93Å; F226-L230 HydrophobicContact CD1-CG 4.42Å; F226-L230 HydrophobicContact CE1-CD1 3.39Å; F226-L230 HydrophobicContact CE1-CG 4.07Å; F226-L230 HydrophobicContact CE2-CD1 4.49Å; F226-L230 HydrophobicContact CE2-CD2 4.44Å; F226-L230 HydrophobicContact CE2-CG 4.33Å; F226-L230 HydrophobicContact CZ-CD1 3.72Å; F226-L230 HydrophobicContact CZ-CD2 4.15Å; F226-L230 HydrophobicContact CZ-CG 4.01Å; F226-L230 WeakPolarHBondContact O-CG 3.36Å; F226-L230 PolarHBondContact O-N 3.46Å
227	Q	92.7	Very high	86.4	Confident	108 Å²	108	101.1 Å²	101.1	51%	0.505	55%	0.554	S	S	.	*	H	α-helix	trans	-62.4	-40.5	176.5	-74.5	171.1	7.2	0	0	112.1	E223 A224 L230 A231	E223-Q227 WeakPolarHBondContact O-CB 3.36Å; E223-Q227 VanDerWaalsContact O-CG 3.28Å; E223-Q227 WeakPolarHBondContact O-CG 3.43Å; E223-Q227 PolarHBondContact O-N 2.92Å; E223-Q227 PolarHBondContact OE1-NE2 3.11Å; A224-Q227 PolarHBondContact O-N 3.3Å; Q227-L230 PolarHBondContact O-N 3.41Å; Q227-A231 WeakPolarHBondContact O-CB 3.49Å; Q227-A231 PolarHBondContact O-N 2.91Å
228	A	88.5	Confident	86.8	Confident	46 Å²	46	101.8 Å²	101.8	38%	0.38	56%	0.559	S	S	.	*	H	α-helix	trans	-62.7	-43.8	174.3	0	0	0	0	0	111.6	A224 A225 F226 A231 L232	A224-A228 WeakPolarHBondContact O-CB 3.37Å; A224-A228 PolarHBondContact O-N 2.9Å; A225-A228 PolarHBondContact O-N 3.39Å; F226-A228 VanDerWaalsContact C-N 3.34Å; F226-A228 PolarHBondContact O-N 2.9Å; A228-A231 PolarHBondContact O-N 3.43Å; A228-L232 WeakPolarHBondContact O-CB 3.39Å; A228-L232 WeakPolarHBondContact O-CG 3.31Å; A228-L232 PolarHBondContact O-N 2.85Å
229	A	88	Confident	87	Confident	49 Å²	49	98.4 Å²	98.4	41%	0.405	55%	0.554	S	S	.	*	H	α-helix	trans	-63.4	-41	176.8	0	0	0	0	0	112.3	A225 F226 S233	A225-A229 WeakPolarHBondContact O-CB 3.26Å; A225-A229 PolarHBondContact O-N 3.22Å; F226-A229 PolarHBondContact O-N 2.95Å; A229-S233 WeakPolarHBondContact O-CB 3.28Å; A229-S233 PolarHBondContact O-N 3.21Å; A229-S233 PolarHBondContact O-OG 3.29Å
230	L	92.1	Very high	87	Confident	84 Å²	84	98.2 Å²	98.2	44%	0.44	55%	0.545	S	S	.	.	H	α-helix	trans	-63	-45.7	173.7	-72.9	-178.9	0	0	0	111.5	F226 Q227 L232 S233 L234	F226-L230 HydrophobicContact CD1-CD1 3.93Å; F226-L230 HydrophobicContact CD1-CG 4.42Å; F226-L230 HydrophobicContact CE1-CD1 3.39Å; F226-L230 HydrophobicContact CE1-CG 4.07Å; F226-L230 HydrophobicContact CE2-CD1 4.49Å; F226-L230 HydrophobicContact CE2-CD2 4.44Å; F226-L230 HydrophobicContact CE2-CG 4.33Å; F226-L230 HydrophobicContact CZ-CD1 3.72Å; F226-L230 HydrophobicContact CZ-CD2 4.15Å; F226-L230 HydrophobicContact CZ-CG 4.01Å; F226-L230 WeakPolarHBondContact O-CG 3.36Å; F226-L230 PolarHBondContact O-N 3.46Å; Q227-L230 PolarHBondContact O-N 3.41Å; L230-L232 PolarHBondContact O-N 3.31Å; L230-S233 PolarHBondContact O-N 2.88Å; L230-L234 WeakPolarHBondContact O-CB 3.4Å; L230-L234 VanDerWaalsContact O-CG 3.31Å; L230-L234 WeakPolarHBondContact O-CG 3.33Å; L230-L234 PolarHBondContact O-N 3.09Å
231	A	91.7	Very high	87	Confident	58 Å²	58	99.8 Å²	99.8	48%	0.479	56%	0.556	S	S	.	*	H	α-helix	trans	-61.1	-43.9	178.9	0	0	0	0	0	111.9	Q227 A228 L234 S235	Q227-A231 WeakPolarHBondContact O-CB 3.49Å; Q227-A231 PolarHBondContact O-N 2.91Å; A228-A231 PolarHBondContact O-N 3.43Å; A231-L234 PolarHBondContact O-N 3.47Å; A231-S235 PolarHBondContact O-N 3.48Å; A231-S235 VanDerWaalsContact O-N 3.11Å; A231-S235 PolarHBondContact O-OG 2.82Å
232	L	87.8	Confident	86.8	Confident	111 Å²	111	99.6 Å²	99.6	58%	0.581	56%	0.556	S	S	*	*	H	α-helix	trans	-61.5	-47.6	174.7	-72.6	170.6	0	0	0	111.3	A228 L230 L234 S235 E236	A228-L232 WeakPolarHBondContact O-CB 3.39Å; A228-L232 WeakPolarHBondContact O-CG 3.31Å; A228-L232 PolarHBondContact O-N 2.85Å; L230-L232 PolarHBondContact O-N 3.31Å; L232-L234 PolarHBondContact O-N 2.89Å; L232-S235 PolarHBondContact O-N 3.48Å; L232-S235 PolarHBondContact O-OG 3.5Å; L232-E236 PolarHBondContact O-N 2.92Å
233	S	89	Confident	86.7	Confident	77 Å²	77	94.3 Å²	94.3	54%	0.538	54%	0.537	S	S	.	.	H	α-helix	trans	-61.1	-33.3	179.4	-57.5	0	0	0	0	112.8	A229 L230	A229-S233 WeakPolarHBondContact O-CB 3.28Å; A229-S233 PolarHBondContact O-N 3.21Å; A229-S233 PolarHBondContact O-OG 3.29Å; L230-S233 PolarHBondContact O-N 2.88Å
234	L	91.4	Very high	86.3	Confident	136 Å²	136	93.5 Å²	93.5	71%	0.712	54%	0.541	S	S	*	.	H	α-helix	trans	-75.7	-27.6	175.9	-72.3	171.2	0	0	0	112.8	L230 A231 L232	L230-L234 WeakPolarHBondContact O-CB 3.4Å; L230-L234 VanDerWaalsContact O-CG 3.31Å; L230-L234 WeakPolarHBondContact O-CG 3.33Å; L230-L234 PolarHBondContact O-N 3.09Å; A231-L234 PolarHBondContact O-N 3.47Å; L232-L234 PolarHBondContact O-N 2.89Å
235	S	87.9	Confident	85.9	Confident	80 Å²	80	98.4 Å²	98.4	56%	0.559	56%	0.563	S	S	*	*	H	α-helix	trans	-84	-18.8	-178.1	69.2	0	0	0	0	114.7	A231 L232 N237	A231-S235 PolarHBondContact O-N 3.48Å; A231-S235 VanDerWaalsContact O-N 3.11Å; A231-S235 PolarHBondContact O-OG 2.82Å; L232-S235 PolarHBondContact O-N 3.48Å; L232-S235 PolarHBondContact O-OG 3.5Å; S235-N237 VanDerWaalsContact C-N 3.28Å
236	E	76.7	Confident	85.7	Confident	169 Å²	169	103.3 Å²	103.3	79%	0.79	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-0.2	178	-70.2	-169.3	159.8	0	0	113.9	L232	L232-E236 PolarHBondContact O-N 2.92Å
237	N	52	Low	85.3	Confident	203 Å²	203	101.9 Å²	101.9	100%	1.086	59%	0.589	S	S	*	*			trans	-102.6	0	171.5	-82.4	-6.1	0	0	0	111.9	S235	S235-N237 VanDerWaalsContact C-N 3.28Å

Retrieved 237 of 237 residues in 40.3 ms (Link to these results)

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