A0A096N2Q9_PAPAN Loading...

E3 ubiquitin-protein ligase RNF166

AlphaFold DB (Q96A37), UniProt , Accession A0A096N2Q9, Species PAPAN (Papio anubis, Olive baboon), Gene RNF166, Length 237 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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 327.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).