A0A5K4F6R2_SCHMA Loading...

RUN domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6R2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 231 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	35.4	Very low	38.1	Very low	240 Å²	240	152.6 Å²	152.6	100%	1.182	81%	0.812	S	S	*	*				0	116.3	0	-76.3	160.8	97.8	0	0	107.4
2	V	33.3	Very low	38	Very low	137 Å²	137	152.1 Å²	152.1	83%	0.83	80%	0.804	S	S	*	*			trans	27.1	110.4	164.6	-163	0	0	0	0	117.9
3	S	34.8	Very low	37.9	Very low	111 Å²	111	153.2 Å²	153.2	78%	0.776	80%	0.799	S	S	*	*			trans	-126.5	100.6	152.6	-168.2	0	0	0	0	108.6	Q5	S3-Q5 PolarHBondContact O-N 3.31Å
4	S	34.9	Very low	38.2	Very low	104 Å²	104	151 Å²	151	73%	0.727	79%	0.794	S	S	*	*			trans	-56.4	119.2	171.1	-61.7	0	0	0	0	110
5	Q	40.8	Very low	38.1	Very low	176 Å²	176	150 Å²	150	82%	0.822	79%	0.79	S	S	*	*			trans	-106.8	106.2	161.9	-71.4	-167.9	-10.4	0	0	108	S3 L7	S3-Q5 PolarHBondContact O-N 3.31Å; Q5-L7 PolarHBondContact O-N 2.6Å
6	H	43.1	Very low	38.3	Very low	187 Å²	187	147.2 Å²	147.2	87%	0.866	78%	0.776	S	S	*	*			trans	-51.4	118.5	172.5	-103.8	-63.7	0	0	0	110.5	C8	H6-C8 PolarHBondContact O-N 3.32Å
7	L	39.9	Very low	38.2	Very low	145 Å²	145	146.3 Å²	146.3	76%	0.759	77%	0.772	S	S	*	*			trans	-67.4	107.5	161.9	-83.4	95.5	0	0	0	108.5	Q5 N9	Q5-L7 PolarHBondContact O-N 2.6Å; L7-N9 PolarHBondContact O-N 3.28Å
8	C	35.8	Very low	38.4	Very low	110 Å²	110	145.8 Å²	145.8	74%	0.743	77%	0.77	S	S	*	*			trans	-86.3	85.5	168.8	-155.2	0	0	0	0	108.8	H6 H10	H6-C8 PolarHBondContact O-N 3.32Å; C8-H10 PolarHBondContact O-N 3.1Å
9	N	39	Very low	38.1	Very low	139 Å²	139	146.2 Å²	146.2	74%	0.743	77%	0.772	S	S	*	*			trans	-77.8	89.3	165.3	-76.6	-32.2	0	0	0	108.1	L7 K11	L7-N9 PolarHBondContact O-N 3.28Å; N9-K11 PolarHBondContact O-N 3.36Å; N9-K11 VanDerWaalsContact O-N 3.07Å
10	H	40.8	Very low	38.2	Very low	162 Å²	162	146.8 Å²	146.8	75%	0.75	78%	0.776	S	S	*	*			trans	-80.3	92.9	176.2	-141.8	41.7	0	0	0	109.8	C8 M12	C8-H10 PolarHBondContact O-N 3.1Å; H10-M12 PolarHBondContact O-N 3.41Å
11	K	41.9	Very low	38.4	Very low	168 Å²	168	145.9 Å²	145.9	73%	0.73	77%	0.772	S	S	*	*			trans	-75.9	96.8	172.5	-165.9	178.6	-171.2	-171.7	0	108.1	N9 F13	N9-K11 PolarHBondContact O-N 3.36Å; N9-K11 VanDerWaalsContact O-N 3.07Å; K11-F13 HydrophobicContact CD-CD2 4.23Å; K11-F13 HydrophobicContact CD-CE2 4.29Å; K11-F13 HydrophobicContact CG-CD2 4.2Å; K11-F13 PolarHBondContact O-N 3.05Å
12	M	36	Very low	38.8	Very low	146 Å²	146	141.8 Å²	141.8	72%	0.719	75%	0.753	S	S	*	*			trans	-68	112.6	169.8	-72.6	-74.9	-136.3	0	0	108.7	H10	H10-M12 PolarHBondContact O-N 3.41Å
13	F	36.5	Very low	39.6	Very low	167 Å²	167	143.5 Å²	143.5	73%	0.732	75%	0.752	S	S	*	*			trans	-105.5	114	170.9	-122.1	-90.5	0	0	0	107.5	K11	K11-F13 HydrophobicContact CD-CD2 4.23Å; K11-F13 HydrophobicContact CD-CE2 4.29Å; K11-F13 HydrophobicContact CG-CD2 4.2Å; K11-F13 PolarHBondContact O-N 3.05Å
14	V	42.3	Very low	40.4	Very low	122 Å²	122	142.5 Å²	142.5	74%	0.739	74%	0.738	S	S	*	*			trans	-96.5	111.1	170.2	178	0	0	0	0	107.6
15	N	37.8	Very low	41.5	Very low	136 Å²	136	141.1 Å²	141.1	73%	0.727	73%	0.733	S	S	*	*			trans	-84.7	109	173.4	-173.2	21.3	0	0	0	108.8
16	N	39.9	Very low	42.5	Very low	105 Å²	105	135.6 Å²	135.6	56%	0.561	71%	0.711	S	S	*	*			trans	-104.6	90	-179.5	-162	7.2	0	0	0	110.4
17	N	37.1	Very low	43.7	Very low	132 Å²	132	130.6 Å²	130.6	71%	0.706	69%	0.691	S	S	*	*			trans	-99.2	80.6	162.9	-84.5	-17.7	0	0	0	107.9
18	N	42.4	Very low	44.9	Very low	138 Å²	138	132.2 Å²	132.2	74%	0.738	69%	0.688	S	S	*	*			trans	-170.3	106.4	151.4	-89.9	-23.6	0	0	0	109.1	N20	N18-N20 PolarHBondContact O-N 3.22Å
19	N	32.7	Very low	46.3	Very low	153 Å²	153	134.5 Å²	134.5	82%	0.818	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	116	172.4	-59.7	-39.5	0	0	0	108.3
20	N	39.9	Very low	47.9	Very low	157 Å²	157	130.2 Å²	130.2	84%	0.84	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	156.8	12.7	149.9	-73.4	-15	0	0	0	115.8	N18	N18-N20 PolarHBondContact O-N 3.22Å
21	N	42.5	Very low	49.3	Very low	129 Å²	129	124.8 Å²	124.8	69%	0.69	64%	0.641	S	S	*	*			trans	-146.2	62.5	173.9	-101.5	-28.6	0	0	0	114	H23	N21-H23 PolarHBondContact O-N 2.91Å; N21-H23 VanDerWaalsContact O-N 3.12Å
22	L	44.1	Very low	50.7	Low	153 Å²	153	119.4 Å²	119.4	80%	0.801	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	17.6	-177.8	-164.8	56.8	0	0	0	114.5
23	H	49.8	Very low	52.6	Low	173 Å²	173	117.9 Å²	117.9	80%	0.801	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-5.5	176.6	-157.1	87.5	0	0	0	113.9	N21	N21-H23 PolarHBondContact O-N 2.91Å; N21-H23 VanDerWaalsContact O-N 3.12Å
24	N	52.3	Low	54.2	Low	90 Å²	90	112.3 Å²	112.3	48%	0.481	59%	0.593	S	S	.	*			trans	-105.4	19	-175.8	-63.8	-17.5	0	0	0	113.6	V26	N24-V26 PolarHBondContact O-N 2.96Å
25	A	57	Low	55.8	Low	76 Å²	76	111.8 Å²	111.8	63%	0.628	58%	0.577	S	S	*	*			trans	-68.4	99.7	173	0	0	0	0	0	109	D27	A25-D27 PolarHBondContact O-N 3.46Å
26	V	61.6	Low	57.7	Low	60 Å²	60	111 Å²	111	36%	0.364	57%	0.573	S	S	.	*			trans	-42.6	91.9	168.6	160.5	0	0	0	0	109.6	N24 Y28 F31 Y49 L50	N24-V26 PolarHBondContact O-N 2.96Å; V26-Y28 PolarHBondContact O-N 2.83Å; V26-Y28 VanDerWaalsContact O-N 3.11Å; V26-F31 HydrophobicContact CB-CE2 4.23Å; V26-F31 HydrophobicContact CB-CZ 3.92Å; V26-F31 HydrophobicContact CG1-CD2 4.49Å; V26-F31 HydrophobicContact CG1-CE2 3.21Å; V26-F31 HydrophobicContact CG1-CZ 3.26Å; V26-Y49 HydrophobicContact CG2-CE1 4.41Å; V26-L50 HydrophobicContact CG1-CD2 4.42Å; V26-L50 HydrophobicContact CG2-CD2 3.99Å
27	D	68.8	Low	59.7	Low	82 Å²	82	111.4 Å²	111.4	44%	0.439	57%	0.574	S	S	.	*			trans	-73.6	102.1	-179	178	15.5	0	0	0	110.2	A25 K29 S30 F31	A25-D27 PolarHBondContact O-N 3.46Å; D27-K29 PolarHBondContact O-N 3.48Å; D27-K29 VanDerWaalsContact OD1-CB 3.27Å; D27-K29 WeakPolarHBondContact OD1-CB 3.34Å; D27-K29 PolarHBondContact OD1-N 3.31Å; D27-S30 WeakPolarHBondContact O-CA 3.15Å; D27-S30 WeakPolarHBondContact O-CB 3.43Å; D27-S30 PolarHBondContact O-N 2.84Å; D27-S30 PolarHBondContact OD2-N 3.38Å; D27-F31 WeakPolarHBondContact O-CE2 3.1Å; D27-F31 WeakPolarHBondContact O-CZ 3.07Å; D27-F31 PolarHBondContact O-N 3.42Å
28	Y	64.6	Low	61.7	Low	178 Å²	178	106.8 Å²	106.8	70%	0.698	55%	0.549	S	S	*	.	H	α-helix	trans	-61.9	-25	179.6	69.2	-86.3	0	0	0	114	V26 S30 F31 S32	V26-Y28 PolarHBondContact O-N 2.83Å; V26-Y28 VanDerWaalsContact O-N 3.11Å; Y28-S30 VanDerWaalsContact C-N 3.34Å; Y28-F31 VanDerWaalsContact CA-CD2 3.42Å; Y28-F31 PolarHBondContact O-N 3.01Å; Y28-S32 PolarHBondContact O-N 2.93Å; Y28-S32 PolarHBondContact O-OG 3.27Å
29	K	64.4	Low	63.6	Low	158 Å²	158	104.9 Å²	104.9	69%	0.687	55%	0.546	S	S	*	.	H	α-helix	trans	-70.1	-37.7	175.2	-164.4	174.9	-177.5	179.7	0	110.3	D27 F31 S32 H33	D27-K29 PolarHBondContact O-N 3.48Å; D27-K29 VanDerWaalsContact OD1-CB 3.27Å; D27-K29 WeakPolarHBondContact OD1-CB 3.34Å; D27-K29 PolarHBondContact OD1-N 3.31Å; K29-F31 VanDerWaalsContact C-N 3.34Å; K29-F31 PolarHBondContact O-N 3.36Å; K29-S32 PolarHBondContact O-N 3.28Å; K29-H33 PolarHBondContact O-N 2.88Å; K29-H33 VanDerWaalsContact O-N 3.16Å
30	S	72.7	Confident	65.7	Low	49 Å²	49	105.3 Å²	105.3	34%	0.343	54%	0.544	S	S	.	.	H	α-helix	trans	-61.2	-38.7	171.9	-169.9	0	0	0	0	112.1	D27 Y28 S32 H33 L34	D27-S30 WeakPolarHBondContact O-CA 3.15Å; D27-S30 WeakPolarHBondContact O-CB 3.43Å; D27-S30 PolarHBondContact O-N 2.84Å; D27-S30 PolarHBondContact OD2-N 3.38Å; Y28-S30 VanDerWaalsContact C-N 3.34Å; S30-S32 PolarHBondContact O-N 3.29Å; S30-H33 WeakPolarHBondContact O-CB 3.46Å; S30-H33 PolarHBondContact O-N 3.22Å; S30-L34 WeakPolarHBondContact O-CG 3.44Å; S30-L34 PolarHBondContact O-N 3.09Å
31	F	70.5	Confident	67.7	Low	49 Å²	49	102 Å²	102	22%	0.215	52%	0.522	C	S	.	.	H	α-helix	trans	-66.4	-41.3	179.1	-52.4	-33.1	0	0	0	113.5	V26 D27 Y28 K29 H33 L34 R35 Q46	V26-F31 HydrophobicContact CB-CE2 4.23Å; V26-F31 HydrophobicContact CB-CZ 3.92Å; V26-F31 HydrophobicContact CG1-CD2 4.49Å; V26-F31 HydrophobicContact CG1-CE2 3.21Å; V26-F31 HydrophobicContact CG1-CZ 3.26Å; D27-F31 WeakPolarHBondContact O-CE2 3.1Å; D27-F31 WeakPolarHBondContact O-CZ 3.07Å; D27-F31 PolarHBondContact O-N 3.42Å; Y28-F31 VanDerWaalsContact CA-CD2 3.42Å; Y28-F31 PolarHBondContact O-N 3.01Å; K29-F31 VanDerWaalsContact C-N 3.34Å; K29-F31 PolarHBondContact O-N 3.36Å; F31-H33 PolarHBondContact O-N 3.39Å; F31-L34 PolarHBondContact O-N 2.72Å; F31-R35 WeakPolarHBondContact O-CB 3.2Å; F31-R35 PolarHBondContact O-N 3.34Å; F31-Q46 HydrophobicContact CD1-CG 3.96Å; F31-Q46 HydrophobicContact CE1-CG 4.35Å; F31-Q46 HydrophobicContact CG-CG 4.39Å
32	S	72.2	Confident	69.7	Low	55 Å²	55	96 Å²	96	39%	0.385	49%	0.49	S	S	.	.	H	α-helix	trans	-61.3	-42.1	175.8	-58.1	0	0	0	0	109.7	Y28 K29 S30 L36	Y28-S32 PolarHBondContact O-N 2.93Å; Y28-S32 PolarHBondContact O-OG 3.27Å; K29-S32 PolarHBondContact O-N 3.28Å; S30-S32 PolarHBondContact O-N 3.29Å; S32-L36 WeakPolarHBondContact O-CB 3.46Å; S32-L36 WeakPolarHBondContact O-CD1 3.34Å; S32-L36 WeakPolarHBondContact O-CG 3.47Å; S32-L36 PolarHBondContact O-N 3.19Å
33	H	75.8	Confident	71.5	Confident	113 Å²	113	94.3 Å²	94.3	52%	0.523	47%	0.474	S	S	.	.	H	α-helix	trans	-65.6	-45.6	177	-171.4	-129.2	0	0	0	112.8	K29 S30 F31 R35 L36 I37	K29-H33 PolarHBondContact O-N 2.88Å; K29-H33 VanDerWaalsContact O-N 3.16Å; S30-H33 WeakPolarHBondContact O-CB 3.46Å; S30-H33 PolarHBondContact O-N 3.22Å; F31-H33 PolarHBondContact O-N 3.39Å; H33-R35 PolarHBondContact O-N 2.8Å; H33-L36 CarbonylContact O-C 3.6Å; H33-L36 PolarHBondContact O-N 3.01Å; H33-L36 VanDerWaalsContact O-N 3.09Å; H33-I37 WeakPolarHBondContact CE1-CD1 3.29Å; H33-I37 WeakPolarHBondContact ND1-CD1 3.47Å; H33-I37 WeakPolarHBondContact NE2-CD1 3.48Å; H33-I37 VanDerWaalsContact O-CG1 3.3Å; H33-I37 WeakPolarHBondContact O-CG1 3.46Å; H33-I37 PolarHBondContact O-N 3.1Å
34	L	71	Confident	73.2	Confident	51 Å²	51	87.9 Å²	87.9	27%	0.267	44%	0.444	S	S	.	.	H	α-helix	trans	-60.1	-43.8	177.5	-74.9	172	0	0	0	111.9	S30 F31 L36 I37 D38	S30-L34 WeakPolarHBondContact O-CG 3.44Å; S30-L34 PolarHBondContact O-N 3.09Å; F31-L34 PolarHBondContact O-N 2.72Å; L34-L36 VanDerWaalsContact C-N 3.3Å; L34-L36 PolarHBondContact O-N 2.82Å; L34-I37 PolarHBondContact O-N 2.87Å; L34-D38 PolarHBondContact O-N 2.8Å
35	R	75.5	Confident	74.7	Confident	110 Å²	110	89.8 Å²	89.8	42%	0.415	45%	0.445	S	S	.	.	H	α-helix	trans	-66.8	-30.4	175.1	-171.5	-178.5	66.9	-167.1	-2.8	112.7	F31 H33 D38 S39 Y43	F31-R35 WeakPolarHBondContact O-CB 3.2Å; F31-R35 PolarHBondContact O-N 3.34Å; H33-R35 PolarHBondContact O-N 2.8Å; R35-D38 CarbonylContact O-C 3.49Å; R35-S39 WeakPolarHBondContact O-CA 3.36Å; R35-S39 PolarHBondContact O-N 2.74Å; R35-Y43 VanDerWaalsContact CD-CE2 3.44Å; R35-Y43 VanDerWaalsContact CD-OH 3.24Å; R35-Y43 WeakPolarHBondContact CD-OH 3.37Å; R35-Y43 HydrophobicContact CG-CE2 3.99Å; R35-Y43 PolarHBondContact NH1-OH 3.28Å
36	L	77.3	Confident	76	Confident	121 Å²	121	87.2 Å²	87.2	63%	0.634	42%	0.42	S	S	*	.	H	α-helix	trans	-78.2	-34.4	176.8	-74	171.5	0	0	0	112.6	S32 H33 L34	S32-L36 WeakPolarHBondContact O-CB 3.46Å; S32-L36 WeakPolarHBondContact O-CD1 3.34Å; S32-L36 WeakPolarHBondContact O-CG 3.47Å; S32-L36 PolarHBondContact O-N 3.19Å; H33-L36 CarbonylContact O-C 3.6Å; H33-L36 PolarHBondContact O-N 3.01Å; H33-L36 VanDerWaalsContact O-N 3.09Å; L34-L36 VanDerWaalsContact C-N 3.3Å; L34-L36 PolarHBondContact O-N 2.82Å
37	I	81.4	Confident	77.2	Confident	113 Å²	113	85 Å²	85	58%	0.579	41%	0.41	S	S	*	.	H	α-helix	trans	-71	-43.9	174.7	-67.8	162.9	0	0	0	110.1	H33 L34	H33-I37 WeakPolarHBondContact CE1-CD1 3.29Å; H33-I37 WeakPolarHBondContact ND1-CD1 3.47Å; H33-I37 WeakPolarHBondContact NE2-CD1 3.48Å; H33-I37 VanDerWaalsContact O-CG1 3.3Å; H33-I37 WeakPolarHBondContact O-CG1 3.46Å; H33-I37 PolarHBondContact O-N 3.1Å; L34-I37 PolarHBondContact O-N 2.87Å
38	D	79.2	Confident	78	Confident	34 Å²	34	84.8 Å²	84.8	18%	0.182	40%	0.402	C	S	.	.			trans	-135.2	86.2	-173.7	-167.1	-21.8	0	0	0	108.8	L34 R35 E40 K41 G42 R45	L34-D38 PolarHBondContact O-N 2.8Å; R35-D38 CarbonylContact O-C 3.49Å; D38-E40 PolarHBondContact O-N 3.1Å; D38-E40 PolarHBondContact OD1-N 3.26Å; D38-K41 WeakPolarHBondContact OD1-CB 3.34Å; D38-K41 PolarHBondContact OD1-N 3.43Å; D38-K41 WeakPolarHBondContact OD2-CB 3.28Å; D38-G42 WeakPolarHBondContact O-CA 3.27Å; D38-G42 PolarHBondContact O-N 3.05Å; D38-R45 IonicContact OD2-CZ 3.29Å; D38-R45 VanDerWaalsContact OD2-CZ 3.29Å; D38-R45 IonicContact OD2-NE 3.43Å; D38-R45 PolarHBondContact OD2-NE 3.14Å; D38-R45 IonicContact OD2-NH2 2.69Å; D38-R45 PolarHBondContact OD2-NH2 3.22Å
39	S	82.3	Confident	79	Confident	98 Å²	98	80.6 Å²	80.6	69%	0.685	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-24.9	-178.1	57	0	0	0	0	113.1	R35	R35-S39 WeakPolarHBondContact O-CA 3.36Å; R35-S39 PolarHBondContact O-N 2.74Å
40	E	77.5	Confident	80.1	Confident	163 Å²	163	75.6 Å²	75.6	76%	0.762	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-44.9	-176.8	-169.7	178.2	168.6	0	0	111.3	D38	D38-E40 PolarHBondContact O-N 3.1Å; D38-E40 PolarHBondContact OD1-N 3.26Å
41	K	82.4	Confident	80.8	Confident	87 Å²	87	74 Å²	74	38%	0.378	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-5.2	-176.1	-57.9	-67.5	-162.9	171.9	0	114.2	D38 Y43 E44 R45	D38-K41 WeakPolarHBondContact OD1-CB 3.34Å; D38-K41 PolarHBondContact OD1-N 3.43Å; D38-K41 WeakPolarHBondContact OD2-CB 3.28Å; K41-Y43 VanDerWaalsContact C-N 3.29Å; K41-Y43 PolarHBondContact O-N 2.91Å; K41-E44 WeakPolarHBondContact CD-OE2 3.48Å; K41-E44 IonicContact NZ-OE2 3.14Å; K41-E44 PolarHBondContact NZ-OE2 3.46Å; K41-E44 WeakPolarHBondContact O-CB 3.39Å; K41-E44 PolarHBondContact O-N 2.87Å; K41-E44 VanDerWaalsContact O-N 3.1Å; K41-R45 WeakPolarHBondContact O-CG 3.16Å; K41-R45 PolarHBondContact O-N 3.08Å
42	G	83.6	Confident	81.6	Confident	3 Å²	3	81.1 Å²	81.1	3%	0.031	38%	0.381	C	S	.	.	H	α-helix	trans	-58.2	-40.3	-175.9	0	0	0	0	0	113	D38 Q46	D38-G42 WeakPolarHBondContact O-CA 3.27Å; D38-G42 PolarHBondContact O-N 3.05Å; G42-Q46 VanDerWaalsContact O-CB 3.31Å; G42-Q46 WeakPolarHBondContact O-CB 3.43Å; G42-Q46 PolarHBondContact O-N 3.43Å
43	Y	82.3	Confident	82.3	Confident	118 Å²	118	80.9 Å²	80.9	46%	0.463	38%	0.377	S	S	.	.	H	α-helix	trans	-69.2	-39.1	175.3	-75.2	-69.8	0	0	0	113.2	R35 K41 Q46 G47	R35-Y43 VanDerWaalsContact CD-CE2 3.44Å; R35-Y43 VanDerWaalsContact CD-OH 3.24Å; R35-Y43 WeakPolarHBondContact CD-OH 3.37Å; R35-Y43 HydrophobicContact CG-CE2 3.99Å; R35-Y43 PolarHBondContact NH1-OH 3.28Å; K41-Y43 VanDerWaalsContact C-N 3.29Å; K41-Y43 PolarHBondContact O-N 2.91Å; Y43-Q46 PolarHBondContact O-N 3.36Å; Y43-G47 PolarHBondContact O-N 3.37Å
44	E	85.5	Confident	82.9	Confident	37 Å²	37	81.5 Å²	81.5	17%	0.173	38%	0.378	C	S	.	.	H	α-helix	trans	-62	-51.1	176.3	-179.2	-166.2	122.1	0	0	110.5	K41 Q46 G47 R48 W58	K41-E44 WeakPolarHBondContact CD-OE2 3.48Å; K41-E44 IonicContact NZ-OE2 3.14Å; K41-E44 PolarHBondContact NZ-OE2 3.46Å; K41-E44 WeakPolarHBondContact O-CB 3.39Å; K41-E44 PolarHBondContact O-N 2.87Å; K41-E44 VanDerWaalsContact O-N 3.1Å; E44-Q46 VanDerWaalsContact C-N 3.26Å; E44-Q46 PolarHBondContact O-N 2.87Å; E44-G47 PolarHBondContact O-N 3.35Å; E44-G47 VanDerWaalsContact O-N 3.14Å; E44-R48 PolarHBondContact O-N 3.47Å; E44-R48 IonicContact OE1-CZ 2.78Å; E44-R48 IonicContact OE1-NH1 2.78Å; E44-R48 PolarHBondContact OE1-NH1 3.26Å; E44-R48 IonicContact OE1-NH2 2.75Å; E44-R48 PolarHBondContact OE1-NH2 2.68Å; E44-W58 HydrophobicContact CG-CZ2 4.5Å
45	R	84.4	Confident	83.7	Confident	130 Å²	130	82.4 Å²	82.4	49%	0.491	40%	0.4	S	S	.	.	H	α-helix	trans	-57	-43.8	177.5	-67.8	-177.8	-164.2	-156.2	6.4	111.2	D38 K41 R48 Y49	D38-R45 IonicContact OD2-CZ 3.29Å; D38-R45 VanDerWaalsContact OD2-CZ 3.29Å; D38-R45 IonicContact OD2-NE 3.43Å; D38-R45 PolarHBondContact OD2-NE 3.14Å; D38-R45 IonicContact OD2-NH2 2.69Å; D38-R45 PolarHBondContact OD2-NH2 3.22Å; K41-R45 WeakPolarHBondContact O-CG 3.16Å; K41-R45 PolarHBondContact O-N 3.08Å; R45-R48 PolarHBondContact O-N 3.06Å; R45-Y49 PolarHBondContact O-N 2.83Å
46	Q	83.2	Confident	84.2	Confident	23 Å²	23	79.6 Å²	79.6	11%	0.107	40%	0.395	C	S	.	.	H	α-helix	trans	-66.1	-41.8	178.9	-173	53.4	35	0	0	112.1	F31 G42 Y43 E44 Y49 L50	F31-Q46 HydrophobicContact CD1-CG 3.96Å; F31-Q46 HydrophobicContact CE1-CG 4.35Å; F31-Q46 HydrophobicContact CG-CG 4.39Å; G42-Q46 VanDerWaalsContact O-CB 3.31Å; G42-Q46 WeakPolarHBondContact O-CB 3.43Å; G42-Q46 PolarHBondContact O-N 3.43Å; Y43-Q46 PolarHBondContact O-N 3.36Å; E44-Q46 VanDerWaalsContact C-N 3.26Å; E44-Q46 PolarHBondContact O-N 2.87Å; Q46-Y49 PolarHBondContact O-N 3.1Å; Q46-L50 HydrophobicContact CG-CD1 4.04Å; Q46-L50 HydrophobicContact CG-CG 4.44Å; Q46-L50 VanDerWaalsContact O-CG 3.28Å; Q46-L50 WeakPolarHBondContact O-CG 3.42Å; Q46-L50 PolarHBondContact O-N 3.21Å
47	G	86.6	Confident	84.8	Confident	14 Å²	14	77.1 Å²	77.1	14%	0.144	39%	0.388	C	S	.	.	H	α-helix	trans	-59.9	-48.1	175.8	0	0	0	0	0	112.1	Y43 E44 Y49 L50 S51 W58	Y43-G47 PolarHBondContact O-N 3.37Å; E44-G47 PolarHBondContact O-N 3.35Å; E44-G47 VanDerWaalsContact O-N 3.14Å; G47-Y49 VanDerWaalsContact C-N 3.33Å; G47-Y49 PolarHBondContact O-N 2.75Å; G47-L50 PolarHBondContact O-N 2.62Å; G47-S51 WeakPolarHBondContact O-CB 3.48Å; G47-S51 PolarHBondContact O-N 3.37Å; G47-W58 VanDerWaalsContact CA-CH2 3.48Å; G47-W58 WeakPolarHBondContact O-CZ3 3.43Å
48	R	85.3	Confident	85.1	Confident	77 Å²	77	73.3 Å²	73.3	29%	0.291	37%	0.366	S	S	.	.	H	α-helix	trans	-59.2	-42.5	174.8	-72.4	-168.2	-170.5	127.5	2.8	112.2	E44 R45 S51 R52 W58 E60	E44-R48 PolarHBondContact O-N 3.47Å; E44-R48 IonicContact OE1-CZ 2.78Å; E44-R48 IonicContact OE1-NH1 2.78Å; E44-R48 PolarHBondContact OE1-NH1 3.26Å; E44-R48 IonicContact OE1-NH2 2.75Å; E44-R48 PolarHBondContact OE1-NH2 2.68Å; R45-R48 PolarHBondContact O-N 3.06Å; R48-S51 PolarHBondContact O-N 3.32Å; R48-R52 WeakPolarHBondContact O-CG 3.3Å; R48-R52 PolarHBondContact O-N 2.92Å; R48-R52 VanDerWaalsContact O-N 3.13Å; R48-W58 HydrophobicContact CG-CD2 3.95Å; R48-W58 HydrophobicContact CG-CG 4.09Å; R48-W58 HydrophobicContact CG-CZ2 4.11Å; R48-E60 IonicContact CZ-OE1 2.79Å; R48-E60 IonicContact NE-OE1 2.71Å; R48-E60 PolarHBondContact NE-OE1 2.78Å; R48-E60 VanDerWaalsContact NH2-CD 3.31Å; R48-E60 IonicContact NH2-OE1 3.07Å; R48-E60 PolarHBondContact NH2-OE1 2.79Å; R48-E60 IonicContact NH2-OE2 3.01Å; R48-E60 PolarHBondContact NH2-OE2 2.71Å
49	Y	85.7	Confident	85.7	Confident	90 Å²	90	78 Å²	78	35%	0.353	38%	0.382	S	S	.	.	H	α-helix	trans	-61.6	-49	176.2	171.2	-99.2	0	0	0	111.6	V26 R45 Q46 G47 S51 R52 V53	V26-Y49 HydrophobicContact CG2-CE1 4.41Å; R45-Y49 PolarHBondContact O-N 2.83Å; Q46-Y49 PolarHBondContact O-N 3.1Å; G47-Y49 VanDerWaalsContact C-N 3.33Å; G47-Y49 PolarHBondContact O-N 2.75Å; Y49-S51 VanDerWaalsContact C-N 3.31Å; Y49-S51 PolarHBondContact O-N 3.11Å; Y49-R52 PolarHBondContact O-N 2.9Å; Y49-V53 HydrophobicContact CD1-CG2 4.16Å; Y49-V53 HydrophobicContact CD2-CG2 4.23Å; Y49-V53 HydrophobicContact CE1-CG2 3.68Å; Y49-V53 HydrophobicContact CE2-CG2 3.76Å; Y49-V53 HydrophobicContact CG-CG2 4.43Å; Y49-V53 VanDerWaalsContact CZ-CG2 3.46Å; Y49-V53 WeakPolarHBondContact O-CG2 3.48Å; Y49-V53 PolarHBondContact O-N 2.97Å
50	L	88.1	Confident	86	Confident	52 Å²	52	75.2 Å²	75.2	27%	0.272	36%	0.359	S	S	.	.	H	α-helix	trans	-62.3	-40.9	179	-67.6	168.5	0	0	0	111.3	V26 Q46 G47 R52 V53 F54	V26-L50 HydrophobicContact CG1-CD2 4.42Å; V26-L50 HydrophobicContact CG2-CD2 3.99Å; Q46-L50 HydrophobicContact CG-CD1 4.04Å; Q46-L50 HydrophobicContact CG-CG 4.44Å; Q46-L50 VanDerWaalsContact O-CG 3.28Å; Q46-L50 WeakPolarHBondContact O-CG 3.42Å; Q46-L50 PolarHBondContact O-N 3.21Å; G47-L50 PolarHBondContact O-N 2.62Å; L50-R52 VanDerWaalsContact C-N 3.3Å; L50-R52 PolarHBondContact O-N 2.99Å; L50-V53 PolarHBondContact O-N 3.04Å; L50-V53 VanDerWaalsContact O-N 3.17Å; L50-F54 HydrophobicContact CB-CD2 4.21Å; L50-F54 HydrophobicContact CB-CE2 4.33Å; L50-F54 HydrophobicContact CD2-CE2 3.88Å; L50-F54 WeakPolarHBondContact O-CD2 3.5Å; L50-F54 PolarHBondContact O-N 3.24Å
51	S	87.1	Confident	86.6	Confident	15 Å²	15	72.1 Å²	72.1	11%	0.105	34%	0.341	C	S	.	.	H	α-helix	trans	-55.5	-45.8	175.4	140.7	0	0	0	0	111.6	G47 R48 Y49 F54 G55 T56 W58	G47-S51 WeakPolarHBondContact O-CB 3.48Å; G47-S51 PolarHBondContact O-N 3.37Å; R48-S51 PolarHBondContact O-N 3.32Å; Y49-S51 VanDerWaalsContact C-N 3.31Å; Y49-S51 PolarHBondContact O-N 3.11Å; S51-F54 PolarHBondContact O-N 3.27Å; S51-G55 WeakPolarHBondContact O-CA 3.48Å; S51-G55 PolarHBondContact O-N 3.19Å; S51-T56 CarbonylContact C-O 3.58Å; S51-T56 WeakPolarHBondContact CA-OG1 3.32Å; S51-T56 VanDerWaalsContact CB-O 3.27Å; S51-T56 WeakPolarHBondContact CB-O 3.36Å; S51-T56 PolarHBondContact O-N 3.23Å; S51-T56 PolarHBondContact OG-O 2.86Å; S51-W58 WeakPolarHBondContact OG-CB 2.94Å
52	R	86.4	Confident	87	Confident	200 Å²	200	71.4 Å²	71.4	76%	0.755	34%	0.336	S	S	*	.	H	α-helix	trans	-64	-44.9	175.5	-67.8	172.8	-176.8	177.5	-0.3	112.4	R48 Y49 L50 F54 G55	R48-R52 WeakPolarHBondContact O-CG 3.3Å; R48-R52 PolarHBondContact O-N 2.92Å; R48-R52 VanDerWaalsContact O-N 3.13Å; Y49-R52 PolarHBondContact O-N 2.9Å; L50-R52 VanDerWaalsContact C-N 3.3Å; L50-R52 PolarHBondContact O-N 2.99Å; R52-F54 VanDerWaalsContact C-N 3.31Å; R52-F54 PolarHBondContact O-N 3.32Å; R52-G55 PolarHBondContact O-N 2.95Å
53	V	87.3	Confident	87.4	Confident	50 Å²	50	79.5 Å²	79.5	30%	0.303	37%	0.373	S	S	.	.	H	α-helix	trans	-62.7	-38.8	-179.5	170.8	0	0	0	0	111.8	Y49 L50	Y49-V53 HydrophobicContact CD1-CG2 4.16Å; Y49-V53 HydrophobicContact CD2-CG2 4.23Å; Y49-V53 HydrophobicContact CE1-CG2 3.68Å; Y49-V53 HydrophobicContact CE2-CG2 3.76Å; Y49-V53 HydrophobicContact CG-CG2 4.43Å; Y49-V53 VanDerWaalsContact CZ-CG2 3.46Å; Y49-V53 WeakPolarHBondContact O-CG2 3.48Å; Y49-V53 PolarHBondContact O-N 2.97Å; L50-V53 PolarHBondContact O-N 3.04Å; L50-V53 VanDerWaalsContact O-N 3.17Å
54	F	89.4	Confident	87.7	Confident	125 Å²	125	77.6 Å²	77.6	55%	0.548	37%	0.367	S	S	.	.	H	α-helix	trans	-92.1	-1.6	-179.8	-67.1	-67.1	0	0	0	113.8	L50 S51 R52 T56	L50-F54 HydrophobicContact CB-CD2 4.21Å; L50-F54 HydrophobicContact CB-CE2 4.33Å; L50-F54 HydrophobicContact CD2-CE2 3.88Å; L50-F54 WeakPolarHBondContact O-CD2 3.5Å; L50-F54 PolarHBondContact O-N 3.24Å; S51-F54 PolarHBondContact O-N 3.27Å; R52-F54 VanDerWaalsContact C-N 3.31Å; R52-F54 PolarHBondContact O-N 3.32Å; F54-T56 HydrophobicContact CB-CG2 4.18Å; F54-T56 PolarHBondContact O-N 3.02Å
55	G	87.9	Confident	88	Confident	71 Å²	71	77.6 Å²	77.6	73%	0.732	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	27.6	-178.1	0	0	0	0	0	113.7	S51 R52	S51-G55 WeakPolarHBondContact O-CA 3.48Å; S51-G55 PolarHBondContact O-N 3.19Å; R52-G55 PolarHBondContact O-N 2.95Å
56	T	86.4	Confident	88.4	Confident	51 Å²	51	77.1 Å²	77.1	31%	0.313	38%	0.375	S	S	.	.			trans	-98.6	135.2	177.6	60	0	0	0	0	109.9	S51 F54	S51-T56 CarbonylContact C-O 3.58Å; S51-T56 WeakPolarHBondContact CA-OG1 3.32Å; S51-T56 VanDerWaalsContact CB-O 3.27Å; S51-T56 WeakPolarHBondContact CB-O 3.36Å; S51-T56 PolarHBondContact O-N 3.23Å; S51-T56 PolarHBondContact OG-O 2.86Å; F54-T56 HydrophobicContact CB-CG2 4.18Å; F54-T56 PolarHBondContact O-N 3.02Å
57	S	88.2	Confident	88.7	Confident	68 Å²	68	80.2 Å²	80.2	48%	0.476	39%	0.392	S	S	.	.			trans	-57.4	148.3	174.3	-61.7	0	0	0	0	112.6	Y59 D70	S57-Y59 VanDerWaalsContact CB-CE2 3.44Å; S57-D70 WeakPolarHBondContact CA-OD2 3.4Å; S57-D70 VanDerWaalsContact CB-OD2 3.3Å; S57-D70 WeakPolarHBondContact CB-OD2 3.49Å
58	W	88.6	Confident	89	Confident	34 Å²	34	84.7 Å²	84.7	13%	0.129	41%	0.405	C	S	.	.			trans	-118.1	103.4	-178.2	179.8	-90.4	0	0	0	110	E44 G47 R48 S51 E60 D70 C219	E44-W58 HydrophobicContact CG-CZ2 4.5Å; G47-W58 VanDerWaalsContact CA-CH2 3.48Å; G47-W58 WeakPolarHBondContact O-CZ3 3.43Å; R48-W58 HydrophobicContact CG-CD2 3.95Å; R48-W58 HydrophobicContact CG-CG 4.09Å; R48-W58 HydrophobicContact CG-CZ2 4.11Å; S51-W58 WeakPolarHBondContact OG-CB 2.94Å; W58-E60 VanDerWaalsContact NE1-CD 3.32Å; W58-E60 PolarHBondContact NE1-OE1 2.64Å; W58-D70 PolarHBondContact N-OD2 3.07Å; W58-D70 WeakPolarHBondContact O-CA 3.24Å; W58-D70 WeakPolarHBondContact O-CB 3.17Å; W58-D70 VanDerWaalsContact O-CG 3.26Å; W58-C219 HydrophobicContact CH2-CB 3.99Å; W58-C219 HydrophobicContact CZ3-CB 4.41Å
59	Y	90.6	Very high	89.2	Confident	133 Å²	133	81.9 Å²	81.9	52%	0.522	40%	0.396	S	S	.	.			trans	-93.9	127.1	-179	-67.5	-92	0	0	0	110.8	S57 Y68 D70	S57-Y59 VanDerWaalsContact CB-CE2 3.44Å; Y59-Y68 WeakPolarHBondContact CD1-O 3.43Å; Y59-D70 HydrophobicContact CD1-CB 4.03Å; Y59-D70 HydrophobicContact CE1-CB 3.99Å; Y59-D70 HydrophobicContact CG-CB 4.36Å
60	E	89.2	Confident	89.5	Confident	39 Å²	39	78.1 Å²	78.1	18%	0.182	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	144.4	173.3	-67.8	-179.1	-152	0	0	109.5	R48 W58 W62 Y68 I69	R48-E60 IonicContact CZ-OE1 2.79Å; R48-E60 IonicContact NE-OE1 2.71Å; R48-E60 PolarHBondContact NE-OE1 2.78Å; R48-E60 VanDerWaalsContact NH2-CD 3.31Å; R48-E60 IonicContact NH2-OE1 3.07Å; R48-E60 PolarHBondContact NH2-OE1 2.79Å; R48-E60 IonicContact NH2-OE2 3.01Å; R48-E60 PolarHBondContact NH2-OE2 2.71Å; W58-E60 VanDerWaalsContact NE1-CD 3.32Å; W58-E60 PolarHBondContact NE1-OE1 2.64Å; E60-W62 HydrophobicContact CB-CZ2 4.31Å; E60-Y68 CarbonylContact O-C 3.45Å; E60-Y68 WeakPolarHBondContact O-CA 3.44Å; E60-I69 PolarHBondContact N-O 3.2Å; E60-I69 VanDerWaalsContact N-O 3.1Å; E60-I69 PolarHBondContact O-N 2.97Å
61	Y	89.7	Confident	89.6	Confident	98 Å²	98	77.7 Å²	77.7	38%	0.384	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	126.3	171.2	-178	-105.1	0	0	0	109.4	E63 D66 D67 Y68	Y61-E63 HydrophobicContact CD1-CG 4.36Å; Y61-E63 HydrophobicContact CE1-CG 3.9Å; Y61-D66 PolarHBondContact OH-OD1 3.07Å; Y61-D67 WeakPolarHBondContact CA-O 3.4Å; Y61-Y68 AromaticContact CD2-CD2 3.86Å; Y61-Y68 HydrophobicContact CD2-CD2 3.86Å; Y61-Y68 AromaticContact CD2-CE2 3.57Å; Y61-Y68 HydrophobicContact CD2-CE2 3.57Å; Y61-Y68 HydrophobicContact CD2-CG 4.4Å; Y61-Y68 AromaticContact CD2-CZ 3.93Å; Y61-Y68 HydrophobicContact CE2-CE2 4.37Å; Y61-Y68 HydrophobicContact CG-CE1 4.46Å; Y61-Y68 HydrophobicContact CG-CE2 4.2Å
62	W	92.3	Very high	89.6	Confident	72 Å²	72	81.8 Å²	81.8	27%	0.273	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	110.4	177.4	-64.2	96.2	0	0	0	109.2	E60 F64 L65 D66 D67 L71	E60-W62 HydrophobicContact CB-CZ2 4.31Å; W62-F64 HydrophobicContact CB-CD1 4.35Å; W62-F64 HydrophobicContact CB-CE1 4.04Å; W62-F64 HydrophobicContact CB-CZ 4.24Å; W62-F64 HydrophobicContact CD2-CE1 4.16Å; W62-F64 HydrophobicContact CD2-CZ 4.39Å; W62-F64 HydrophobicContact CE3-CD1 4.46Å; W62-F64 AromaticContact CE3-CE1 3.53Å; W62-F64 HydrophobicContact CE3-CE1 3.53Å; W62-F64 HydrophobicContact CE3-CZ 4.1Å; W62-F64 HydrophobicContact CG-CE1 4.4Å; W62-F64 HydrophobicContact CG-CZ 4.47Å; W62-F64 HydrophobicContact CZ3-CE1 4.31Å; W62-F64 PolarHBondContact O-N 2.58Å; W62-F64 VanDerWaalsContact O-N 3.1Å; W62-L65 HydrophobicContact CB-CB 4.18Å; W62-L65 HydrophobicContact CB-CD1 4.08Å; W62-L65 HydrophobicContact CB-CG 4.18Å; W62-L65 HydrophobicContact CG-CD1 4.41Å; W62-L65 CarbonylContact O-C 3.55Å; W62-L65 PolarHBondContact O-N 3.47Å; W62-D66 PolarHBondContact O-N 2.57Å; W62-D67 PolarHBondContact N-O 3.09Å; W62-L71 HydrophobicContact CD2-CD1 4.05Å; W62-L71 HydrophobicContact CH2-CD1 3.9Å; W62-L71 HydrophobicContact CZ2-CD1 3.28Å; W62-L71 HydrophobicContact CZ2-CG 4.08Å
63	E	90.7	Very high	89.7	Confident	173 Å²	173	73.9 Å²	73.9	81%	0.808	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-33.6	-176.6	-70.1	-179.4	178.3	0	0	113.3	Y61 D66	Y61-E63 HydrophobicContact CD1-CG 4.36Å; Y61-E63 HydrophobicContact CE1-CG 3.9Å; E63-D66 PolarHBondContact O-N 3.04Å
64	F	90.1	Very high	90.1	Very high	78 Å²	78	77.7 Å²	77.7	34%	0.342	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-20.8	-179.8	66.7	-97.3	0	0	0	114	W62 L80 Y83	W62-F64 HydrophobicContact CB-CD1 4.35Å; W62-F64 HydrophobicContact CB-CE1 4.04Å; W62-F64 HydrophobicContact CB-CZ 4.24Å; W62-F64 HydrophobicContact CD2-CE1 4.16Å; W62-F64 HydrophobicContact CD2-CZ 4.39Å; W62-F64 HydrophobicContact CE3-CD1 4.46Å; W62-F64 AromaticContact CE3-CE1 3.53Å; W62-F64 HydrophobicContact CE3-CE1 3.53Å; W62-F64 HydrophobicContact CE3-CZ 4.1Å; W62-F64 HydrophobicContact CG-CE1 4.4Å; W62-F64 HydrophobicContact CG-CZ 4.47Å; W62-F64 HydrophobicContact CZ3-CE1 4.31Å; W62-F64 PolarHBondContact O-N 2.58Å; W62-F64 VanDerWaalsContact O-N 3.1Å; F64-L80 HydrophobicContact CE2-CD1 3.78Å; F64-L80 HydrophobicContact CZ-CD1 3.95Å; F64-Y83 HydrophobicContact CB-CE1 4.25Å; F64-Y83 HydrophobicContact CB-CE2 3.94Å; F64-Y83 AromaticContact CD2-CD1 3.54Å; F64-Y83 HydrophobicContact CD2-CD1 3.54Å; F64-Y83 AromaticContact CD2-CD2 3.98Å; F64-Y83 HydrophobicContact CD2-CD2 3.98Å; F64-Y83 AromaticContact CD2-CE1 3.46Å; F64-Y83 HydrophobicContact CD2-CE1 3.46Å; F64-Y83 VanDerWaalsContact CD2-CE1 3.46Å; F64-Y83 AromaticContact CD2-CE2 3.91Å; F64-Y83 HydrophobicContact CD2-CE2 3.91Å; F64-Y83 AromaticContact CD2-CG 3.82Å; F64-Y83 HydrophobicContact CD2-CG 3.82Å; F64-Y83 AromaticContact CD2-CZ 3.67Å; F64-Y83 AromaticContact CE2-CD1 3.86Å; F64-Y83 HydrophobicContact CE2-CD1 3.86Å; F64-Y83 HydrophobicContact CE2-CE1 4.1Å; F64-Y83 HydrophobicContact CE2-CG 4.25Å; F64-Y83 HydrophobicContact CG-CE1 4.11Å; F64-Y83 HydrophobicContact CG-CE2 4.41Å; F64-Y83 WeakPolarHBondContact O-CD2 3.12Å; F64-Y83 WeakPolarHBondContact O-CE2 3.31Å
65	L	91.4	Very high	90.4	Very high	36 Å²	36	77.9 Å²	77.9	19%	0.188	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-13.6	171.8	-59.3	175.3	0	0	0	111.9	W62 D67 I69 L71 Y83	W62-L65 HydrophobicContact CB-CB 4.18Å; W62-L65 HydrophobicContact CB-CD1 4.08Å; W62-L65 HydrophobicContact CB-CG 4.18Å; W62-L65 HydrophobicContact CG-CD1 4.41Å; W62-L65 CarbonylContact O-C 3.55Å; W62-L65 PolarHBondContact O-N 3.47Å; L65-D67 PolarHBondContact O-N 2.9Å; L65-I69 HydrophobicContact CB-CD1 3.97Å; L65-I69 HydrophobicContact CD1-CD1 3.56Å; L65-I69 HydrophobicContact CG-CD1 4.3Å; L65-L71 HydrophobicContact CD1-CD2 4.37Å; L65-Y83 HydrophobicContact CD2-CD2 4.05Å; L65-Y83 HydrophobicContact CD2-CG 3.81Å
66	D	91.4	Very high	90.6	Very high	121 Å²	121	74.6 Å²	74.6	65%	0.647	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	32.3	-171	-164.1	26.8	0	0	0	113.5	Y61 W62 E63	Y61-D66 PolarHBondContact OH-OD1 3.07Å; W62-D66 PolarHBondContact O-N 2.57Å; E63-D66 PolarHBondContact O-N 3.04Å
67	D	90.2	Very high	91.1	Very high	88 Å²	88	76.1 Å²	76.1	47%	0.471	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	160.4	-176.2	-157.9	4.3	0	0	0	113.5	Y61 W62 L65 I69	Y61-D67 WeakPolarHBondContact CA-O 3.4Å; W62-D67 PolarHBondContact N-O 3.09Å; L65-D67 PolarHBondContact O-N 2.9Å; D67-I69 HydrophobicContact CB-CD1 3.92Å; D67-I69 HydrophobicContact CB-CG1 4.07Å
68	Y	92.3	Very high	91.4	Very high	107 Å²	107	77 Å²	77	42%	0.42	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	105.4	171.5	-72.5	-94.8	0	0	0	109.7	Y59 E60 Y61 F223	Y59-Y68 WeakPolarHBondContact CD1-O 3.43Å; E60-Y68 CarbonylContact O-C 3.45Å; E60-Y68 WeakPolarHBondContact O-CA 3.44Å; Y61-Y68 AromaticContact CD2-CD2 3.86Å; Y61-Y68 HydrophobicContact CD2-CD2 3.86Å; Y61-Y68 AromaticContact CD2-CE2 3.57Å; Y61-Y68 HydrophobicContact CD2-CE2 3.57Å; Y61-Y68 HydrophobicContact CD2-CG 4.4Å; Y61-Y68 AromaticContact CD2-CZ 3.93Å; Y61-Y68 HydrophobicContact CE2-CE2 4.37Å; Y61-Y68 HydrophobicContact CG-CE1 4.46Å; Y61-Y68 HydrophobicContact CG-CE2 4.2Å; Y68-F223 HydrophobicContact CE1-CE2 4.19Å; Y68-F223 AromaticContact CZ-CE2 3.91Å; Y68-F223 WeakPolarHBondContact OH-CE2 3.46Å; Y68-F223 WeakPolarHBondContact OH-CZ 3.49Å
69	I	90.9	Very high	91.6	Very high	19 Å²	19	77 Å²	77	10%	0.097	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	139.2	-173.1	-66.4	168.7	0	0	0	109.7	E60 L65 D67 L71 A79	E60-I69 PolarHBondContact N-O 3.2Å; E60-I69 VanDerWaalsContact N-O 3.1Å; E60-I69 PolarHBondContact O-N 2.97Å; L65-I69 HydrophobicContact CB-CD1 3.97Å; L65-I69 HydrophobicContact CD1-CD1 3.56Å; L65-I69 HydrophobicContact CG-CD1 4.3Å; D67-I69 HydrophobicContact CB-CD1 3.92Å; D67-I69 HydrophobicContact CB-CG1 4.07Å; I69-L71 HydrophobicContact CG2-CD2 3.94Å; I69-A79 HydrophobicContact CD1-CB 4.01Å
70	D	91.2	Very high	91.8	Very high	10 Å²	10	72.8 Å²	72.8	5%	0.053	37%	0.369	C	S	.	.			trans	-88.3	100.5	166.2	-174.5	-12.7	0	0	0	108.6	S57 W58 Y59 S72 S73	S57-D70 WeakPolarHBondContact CA-OD2 3.4Å; S57-D70 VanDerWaalsContact CB-OD2 3.3Å; S57-D70 WeakPolarHBondContact CB-OD2 3.49Å; W58-D70 PolarHBondContact N-OD2 3.07Å; W58-D70 WeakPolarHBondContact O-CA 3.24Å; W58-D70 WeakPolarHBondContact O-CB 3.17Å; W58-D70 VanDerWaalsContact O-CG 3.26Å; Y59-D70 HydrophobicContact CD1-CB 4.03Å; Y59-D70 HydrophobicContact CE1-CB 3.99Å; Y59-D70 HydrophobicContact CG-CB 4.36Å; D70-S72 PolarHBondContact O-N 3.07Å; D70-S72 VanDerWaalsContact O-N 3.09Å; D70-S72 WeakPolarHBondContact OD1-CA 3.28Å; D70-S72 VanDerWaalsContact OD1-CB 3.32Å; D70-S72 WeakPolarHBondContact OD1-CB 3.14Å; D70-S72 PolarHBondContact OD1-N 3.06Å; D70-S72 PolarHBondContact OD1-OG 2.97Å; D70-S72 PolarHBondContact OD2-OG 3.22Å; D70-S73 PolarHBondContact O-N 3.08Å; D70-S73 VanDerWaalsContact O-N 3.08Å; D70-S73 PolarHBondContact O-OG 3.42Å
71	L	89.8	Confident	92	Very high	44 Å²	44	76.7 Å²	76.7	23%	0.23	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-3.1	179.1	-65	-176.6	0	0	0	113.7	W62 L65 I69 L77 L80	W62-L71 HydrophobicContact CD2-CD1 4.05Å; W62-L71 HydrophobicContact CH2-CD1 3.9Å; W62-L71 HydrophobicContact CZ2-CD1 3.28Å; W62-L71 HydrophobicContact CZ2-CG 4.08Å; L65-L71 HydrophobicContact CD1-CD2 4.37Å; I69-L71 HydrophobicContact CG2-CD2 3.94Å; L71-L77 WeakPolarHBondContact O-CD2 3.44Å; L71-L80 HydrophobicContact CD2-CB 4.28Å
72	S	86.7	Confident	92.2	Very high	101 Å²	101	76.7 Å²	76.7	71%	0.706	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-10.9	171.7	74.9	0	0	0	0	113.4	D70	D70-S72 PolarHBondContact O-N 3.07Å; D70-S72 VanDerWaalsContact O-N 3.09Å; D70-S72 WeakPolarHBondContact OD1-CA 3.28Å; D70-S72 VanDerWaalsContact OD1-CB 3.32Å; D70-S72 WeakPolarHBondContact OD1-CB 3.14Å; D70-S72 PolarHBondContact OD1-N 3.06Å; D70-S72 PolarHBondContact OD1-OG 2.97Å; D70-S72 PolarHBondContact OD2-OG 3.22Å
73	S	90.2	Very high	92.3	Very high	33 Å²	33	77 Å²	77	23%	0.231	40%	0.396	C	S	.	.	S	Bend	trans	-85.2	155.7	172.5	79.1	0	0	0	0	111.2	D70 D75 G76 L77	D70-S73 PolarHBondContact O-N 3.08Å; D70-S73 VanDerWaalsContact O-N 3.08Å; D70-S73 PolarHBondContact O-OG 3.42Å; S73-D75 VanDerWaalsContact C-N 3.29Å; S73-D75 PolarHBondContact O-N 2.7Å; S73-G76 PolarHBondContact O-N 2.93Å; S73-G76 PolarHBondContact OG-N 3.23Å; S73-G76 VanDerWaalsContact OG-N 3.1Å; S73-L77 WeakPolarHBondContact O-CG 3.27Å; S73-L77 PolarHBondContact O-N 3.31Å
74	E	95	Very high	92.3	Very high	131 Å²	131	73.5 Å²	73.5	61%	0.612	38%	0.382	S	S	*	.	H	α-helix	trans	-57.7	-43.7	174.8	-171.2	64.9	-162.5	0	0	111.3	G76 L77 L78	E74-G76 VanDerWaalsContact C-N 3.29Å; E74-G76 PolarHBondContact O-N 3.21Å; E74-L77 PolarHBondContact O-N 2.88Å; E74-L78 HydrophobicContact CG-CD1 4.44Å; E74-L78 WeakPolarHBondContact O-CG 3.38Å; E74-L78 PolarHBondContact O-N 2.9Å
75	D	94.3	Very high	92.3	Very high	129 Å²	129	73 Å²	73	69%	0.69	39%	0.388	S	S	*	.	H	α-helix	trans	-60.9	-38.8	178.3	-60.6	-37.6	0	0	0	112	S73 L78 A79	S73-D75 VanDerWaalsContact C-N 3.29Å; S73-D75 PolarHBondContact O-N 2.7Å; D75-L78 PolarHBondContact O-N 3.42Å; D75-A79 PolarHBondContact O-N 3.45Å
76	G	93.7	Very high	92	Very high	1 Å²	1	75.6 Å²	75.6	1%	0.01	40%	0.402	C	S	.	.	H	α-helix	trans	-70.9	-35.1	178.2	0	0	0	0	0	113.3	S73 E74 L80	S73-G76 PolarHBondContact O-N 2.93Å; S73-G76 PolarHBondContact OG-N 3.23Å; S73-G76 VanDerWaalsContact OG-N 3.1Å; E74-G76 VanDerWaalsContact C-N 3.29Å; E74-G76 PolarHBondContact O-N 3.21Å; G76-L80 PolarHBondContact O-N 3.45Å; G76-L80 VanDerWaalsContact O-N 3.1Å
77	L	95.4	Very high	91.5	Very high	83 Å²	83	71.3 Å²	71.3	44%	0.435	38%	0.381	S	S	.	.	H	α-helix	trans	-67.2	-40.8	173.1	-69.8	175.9	0	0	0	111.7	L71 S73 E74 L80 E81	L71-L77 WeakPolarHBondContact O-CD2 3.44Å; S73-L77 WeakPolarHBondContact O-CG 3.27Å; S73-L77 PolarHBondContact O-N 3.31Å; E74-L77 PolarHBondContact O-N 2.88Å; L77-L80 WeakPolarHBondContact O-CB 3.44Å; L77-L80 PolarHBondContact O-N 3.37Å; L77-E81 WeakPolarHBondContact O-CB 3.4Å; L77-E81 PolarHBondContact O-N 3.25Å
78	L	95.5	Very high	90.2	Very high	86 Å²	86	72 Å²	72	45%	0.45	39%	0.393	S	S	.	.	H	α-helix	trans	-62.2	-43.1	175.1	-71.6	171.4	0	0	0	112	E74 D75 L80 E81 D82	E74-L78 HydrophobicContact CG-CD1 4.44Å; E74-L78 WeakPolarHBondContact O-CG 3.38Å; E74-L78 PolarHBondContact O-N 2.9Å; D75-L78 PolarHBondContact O-N 3.42Å; L78-L80 VanDerWaalsContact C-N 3.3Å; L78-L80 PolarHBondContact O-N 2.78Å; L78-E81 PolarHBondContact O-N 3.1Å; L78-D82 PolarHBondContact O-N 3.24Å
79	A	93.8	Very high	88.7	Confident	35 Å²	35	71.6 Å²	71.6	29%	0.289	41%	0.406	S	S	.	.	H	α-helix	trans	-61.7	-39.2	175.6	0	0	0	0	0	112.1	I69 D75 Y83	I69-A79 HydrophobicContact CD1-CB 4.01Å; D75-A79 PolarHBondContact O-N 3.45Å; A79-Y83 WeakPolarHBondContact O-CB 3.48Å; A79-Y83 PolarHBondContact O-N 2.83Å; A79-Y83 VanDerWaalsContact O-N 3.08Å
80	L	93.6	Very high	86.9	Confident	45 Å²	45	76.5 Å²	76.5	24%	0.236	43%	0.432	C	S	.	.	H	α-helix	trans	-66.1	-43.4	174.7	179.4	64.6	0	0	0	111.8	F64 L71 G76 L77 L78 Y83 L84	F64-L80 HydrophobicContact CE2-CD1 3.78Å; F64-L80 HydrophobicContact CZ-CD1 3.95Å; L71-L80 HydrophobicContact CD2-CB 4.28Å; G76-L80 PolarHBondContact O-N 3.45Å; G76-L80 VanDerWaalsContact O-N 3.1Å; L77-L80 WeakPolarHBondContact O-CB 3.44Å; L77-L80 PolarHBondContact O-N 3.37Å; L78-L80 VanDerWaalsContact C-N 3.3Å; L78-L80 PolarHBondContact O-N 2.78Å; L80-Y83 PolarHBondContact O-N 3.28Å; L80-L84 HydrophobicContact CD1-CD1 4.35Å; L80-L84 HydrophobicContact CD1-CG 4.36Å; L80-L84 HydrophobicContact CG-CD1 4.13Å; L80-L84 WeakPolarHBondContact O-CB 3.49Å; L80-L84 VanDerWaalsContact O-CG 3.29Å; L80-L84 WeakPolarHBondContact O-CG 3.14Å; L80-L84 PolarHBondContact O-N 2.92Å
81	E	94.7	Very high	84.9	Confident	120 Å²	120	82.5 Å²	82.5	56%	0.561	46%	0.464	S	S	*	.	H	α-helix	trans	-65.1	-40.7	178.8	-174	171.3	-160	0	0	112.1	L77 L78 L84 S85	L77-E81 WeakPolarHBondContact O-CB 3.4Å; L77-E81 PolarHBondContact O-N 3.25Å; L78-E81 PolarHBondContact O-N 3.1Å; E81-L84 PolarHBondContact O-N 3.24Å; E81-S85 VanDerWaalsContact O-CB 3.27Å; E81-S85 WeakPolarHBondContact O-CB 3.37Å; E81-S85 PolarHBondContact O-N 3.14Å; E81-S85 PolarHBondContact O-OG 2.84Å
82	D	93.5	Very high	83.6	Confident	99 Å²	99	87.7 Å²	87.7	53%	0.529	49%	0.49	S	S	.	.	H	α-helix	trans	-62	-46.2	173.7	-176	50.6	0	0	0	111.2	L78 L84 S85 N86	L78-D82 PolarHBondContact O-N 3.24Å; D82-L84 PolarHBondContact O-N 3.47Å; D82-S85 PolarHBondContact O-N 3.41Å; D82-N86 WeakPolarHBondContact O-CB 3.3Å; D82-N86 VanDerWaalsContact O-CG 3.24Å; D82-N86 PolarHBondContact O-N 3.32Å; D82-N86 PolarHBondContact O-ND2 3.17Å; D82-N86 PolarHBondContact OD1-ND2 3.37Å; D82-N86 PolarHBondContact OD2-ND2 3.45Å
83	Y	92.9	Very high	81.8	Confident	79 Å²	79	88.9 Å²	88.9	31%	0.31	49%	0.489	S	S	.	.	H	α-helix	trans	-58.1	-46.9	174.6	176	-93.4	0	0	0	112.2	F64 L65 A79 L80 N86 C87	F64-Y83 HydrophobicContact CB-CE1 4.25Å; F64-Y83 HydrophobicContact CB-CE2 3.94Å; F64-Y83 AromaticContact CD2-CD1 3.54Å; F64-Y83 HydrophobicContact CD2-CD1 3.54Å; F64-Y83 AromaticContact CD2-CD2 3.98Å; F64-Y83 HydrophobicContact CD2-CD2 3.98Å; F64-Y83 AromaticContact CD2-CE1 3.46Å; F64-Y83 HydrophobicContact CD2-CE1 3.46Å; F64-Y83 VanDerWaalsContact CD2-CE1 3.46Å; F64-Y83 AromaticContact CD2-CE2 3.91Å; F64-Y83 HydrophobicContact CD2-CE2 3.91Å; F64-Y83 AromaticContact CD2-CG 3.82Å; F64-Y83 HydrophobicContact CD2-CG 3.82Å; F64-Y83 AromaticContact CD2-CZ 3.67Å; F64-Y83 AromaticContact CE2-CD1 3.86Å; F64-Y83 HydrophobicContact CE2-CD1 3.86Å; F64-Y83 HydrophobicContact CE2-CE1 4.1Å; F64-Y83 HydrophobicContact CE2-CG 4.25Å; F64-Y83 HydrophobicContact CG-CE1 4.11Å; F64-Y83 HydrophobicContact CG-CE2 4.41Å; F64-Y83 WeakPolarHBondContact O-CD2 3.12Å; F64-Y83 WeakPolarHBondContact O-CE2 3.31Å; L65-Y83 HydrophobicContact CD2-CD2 4.05Å; L65-Y83 HydrophobicContact CD2-CG 3.81Å; A79-Y83 WeakPolarHBondContact O-CB 3.48Å; A79-Y83 PolarHBondContact O-N 2.83Å; A79-Y83 VanDerWaalsContact O-N 3.08Å; L80-Y83 PolarHBondContact O-N 3.28Å; Y83-N86 PolarHBondContact O-N 2.99Å; Y83-C87 HydrophobicContact CE1-CB 4.49Å; Y83-C87 VanDerWaalsContact CE1-SG 3.52Å; Y83-C87 WeakPolarHBondContact O-CB 3.41Å; Y83-C87 PolarHBondContact O-N 2.87Å; Y83-C87 PolarHBondContact OH-SG 3.06Å
84	L	90.9	Very high	80.1	Confident	99 Å²	99	93.2 Å²	93.2	52%	0.518	51%	0.505	S	S	.	.	H	α-helix	trans	-66.2	-37.7	178.8	-70.6	175.8	0	0	0	112.4	L80 E81 D82 N86 C87 S88	L80-L84 HydrophobicContact CD1-CD1 4.35Å; L80-L84 HydrophobicContact CD1-CG 4.36Å; L80-L84 HydrophobicContact CG-CD1 4.13Å; L80-L84 WeakPolarHBondContact O-CB 3.49Å; L80-L84 VanDerWaalsContact O-CG 3.29Å; L80-L84 WeakPolarHBondContact O-CG 3.14Å; L80-L84 PolarHBondContact O-N 2.92Å; E81-L84 PolarHBondContact O-N 3.24Å; D82-L84 PolarHBondContact O-N 3.47Å; L84-N86 VanDerWaalsContact C-N 3.34Å; L84-C87 PolarHBondContact O-N 3.42Å; L84-S88 PolarHBondContact O-N 2.91Å
85	S	90.1	Very high	77.5	Confident	66 Å²	66	92.3 Å²	92.3	46%	0.462	51%	0.511	S	S	.	.	H	α-helix	trans	-62.9	-42.9	175.8	-62.3	0	0	0	0	110.8	E81 D82 S88	E81-S85 VanDerWaalsContact O-CB 3.27Å; E81-S85 WeakPolarHBondContact O-CB 3.37Å; E81-S85 PolarHBondContact O-N 3.14Å; E81-S85 PolarHBondContact O-OG 2.84Å; D82-S85 PolarHBondContact O-N 3.41Å; S85-S88 PolarHBondContact O-N 2.9Å; S85-S88 PolarHBondContact O-OG 3.31Å
86	N	86.7	Confident	75.3	Confident	92 Å²	92	93.2 Å²	93.2	49%	0.492	52%	0.515	S	S	.	.	H	α-helix	trans	-68.7	-41.3	175.6	-67.6	-36.2	0	0	0	111.8	D82 Y83 L84 S88 S89	D82-N86 WeakPolarHBondContact O-CB 3.3Å; D82-N86 VanDerWaalsContact O-CG 3.24Å; D82-N86 PolarHBondContact O-N 3.32Å; D82-N86 PolarHBondContact O-ND2 3.17Å; D82-N86 PolarHBondContact OD1-ND2 3.37Å; D82-N86 PolarHBondContact OD2-ND2 3.45Å; Y83-N86 PolarHBondContact O-N 2.99Å; L84-N86 VanDerWaalsContact C-N 3.34Å; N86-S88 VanDerWaalsContact C-N 3.31Å; N86-S88 PolarHBondContact O-N 2.75Å; N86-S89 PolarHBondContact O-N 2.78Å; N86-S89 PolarHBondContact O-OG 2.88Å
87	C	80.7	Confident	72.9	Confident	30 Å²	30	102.2 Å²	102.2	20%	0.203	55%	0.553	C	S	.	*	H	α-helix	trans	-68.1	-25.2	176.5	-82.8	0	0	0	0	113.8	Y83 L84 S89 L90	Y83-C87 HydrophobicContact CE1-CB 4.49Å; Y83-C87 VanDerWaalsContact CE1-SG 3.52Å; Y83-C87 WeakPolarHBondContact O-CB 3.41Å; Y83-C87 PolarHBondContact O-N 2.87Å; Y83-C87 PolarHBondContact OH-SG 3.06Å; L84-C87 PolarHBondContact O-N 3.42Å; C87-S89 PolarHBondContact O-N 3.26Å; C87-L90 CarbonylContact O-C 3.57Å; C87-L90 WeakPolarHBondContact O-CA 3.39Å; C87-L90 PolarHBondContact O-N 3.42Å
88	S	61.4	Low	70.2	Confident	103 Å²	103	101.1 Å²	101.1	72%	0.72	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-20.2	177.3	73.5	0	0	0	0	113.2	L84 S85 N86	L84-S88 PolarHBondContact O-N 2.91Å; S85-S88 PolarHBondContact O-N 2.9Å; S85-S88 PolarHBondContact O-OG 3.31Å; N86-S88 VanDerWaalsContact C-N 3.31Å; N86-S88 PolarHBondContact O-N 2.75Å
89	S	60.9	Low	67.3	Low	98 Å²	98	103.7 Å²	103.7	69%	0.685	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-13.1	172.7	71.4	0	0	0	0	114.4	N86 C87	N86-S89 PolarHBondContact O-N 2.78Å; N86-S89 PolarHBondContact O-OG 2.88Å; C87-S89 PolarHBondContact O-N 3.26Å
90	L	54.7	Low	65.1	Low	122 Å²	122	109.6 Å²	109.6	64%	0.639	61%	0.607	S	S	*	*	S	Bend	trans	-104.1	103.8	176.5	-61.7	179.3	0	0	0	108.1	C87 I92	C87-L90 CarbonylContact O-C 3.57Å; C87-L90 WeakPolarHBondContact O-CA 3.39Å; C87-L90 PolarHBondContact O-N 3.42Å; L90-I92 PolarHBondContact O-N 3.13Å
91	N	49.3	Very low	62.6	Low	136 Å²	136	111.4 Å²	111.4	73%	0.727	62%	0.623	S	S	*	*			trans	-30.5	113.6	167.8	-110	-19	0	0	0	110.3	D93	N91-D93 PolarHBondContact O-N 3.29Å
92	I	61.5	Low	60.2	Low	154 Å²	154	113.3 Å²	113.3	79%	0.79	64%	0.637	S	S	*	*			trans	-70.6	73.8	164.6	-55.4	179	0	0	0	105.3	L90 H94	L90-I92 PolarHBondContact O-N 3.13Å; I92-H94 HydrophobicContact CG2-CB 4.31Å; I92-H94 PolarHBondContact O-N 2.93Å
93	D	50.1	Low	57.8	Low	126 Å²	126	111.7 Å²	111.7	67%	0.674	64%	0.643	S	S	*	*			trans	-71.9	70.1	167.9	-72.6	-22.3	0	0	0	106.3	N91 P95	N91-D93 PolarHBondContact O-N 3.29Å; D93-P95 WeakPolarHBondContact O-CD 3.37Å
94	H	54	Low	55.3	Low	124 Å²	124	115.8 Å²	115.8	57%	0.574	67%	0.671	S	S	*	*			trans	-65.2	117.5	170.4	-165.3	-54.4	0	0	0	106.8	I92 L96	I92-H94 HydrophobicContact CG2-CB 4.31Å; I92-H94 PolarHBondContact O-N 2.93Å; H94-L96 WeakPolarHBondContact CE1-CD2 3.47Å; H94-L96 WeakPolarHBondContact ND1-CG 3.45Å; H94-L96 PolarHBondContact ND1-N 3.49Å; H94-L96 PolarHBondContact O-N 3.43Å
95	P	39.2	Very low	52.4	Low	112 Å²	112	116.7 Å²	116.7	73%	0.727	68%	0.684	S	S	*	*			trans	-77.4	79.1	167.2	18.8	-4.7	0	0	0	106.6	D93 K97	D93-P95 WeakPolarHBondContact O-CD 3.37Å; P95-K97 PolarHBondContact O-N 3.36Å
96	L	47.9	Very low	50.2	Low	148 Å²	148	122 Å²	122	78%	0.775	71%	0.706	S	S	*	*			trans	-71.5	68.2	156.5	-74.6	-179.8	0	0	0	107.5	H94 G98	H94-L96 WeakPolarHBondContact CE1-CD2 3.47Å; H94-L96 WeakPolarHBondContact ND1-CG 3.45Å; H94-L96 PolarHBondContact ND1-N 3.49Å; H94-L96 PolarHBondContact O-N 3.43Å; L96-G98 PolarHBondContact O-N 2.92Å
97	K	43.3	Very low	47.7	Very low	189 Å²	189	125.1 Å²	125.1	82%	0.822	72%	0.723	S	S	*	*			trans	-77.6	81	164.9	-161.9	171.7	-174.2	-178.7	0	107.2	P95 T99	P95-K97 PolarHBondContact O-N 3.36Å; K97-T99 PolarHBondContact O-N 3.41Å
98	G	38.9	Very low	45.9	Very low	60 Å²	60	128.8 Å²	128.8	62%	0.619	75%	0.749	S	S	*	*			trans	-50.6	118.7	160.8	0	0	0	0	0	108.7	L96 I100	L96-G98 PolarHBondContact O-N 2.92Å; G98-I100 PolarHBondContact O-N 3.27Å
99	T	35.7	Very low	45.1	Very low	141 Å²	141	128.2 Å²	128.2	87%	0.865	75%	0.745	S	S	*	*			trans	-74	85.7	161.4	-60.5	0	0	0	0	106.1	K97	K97-T99 PolarHBondContact O-N 3.41Å
100	I	46.1	Very low	44.2	Very low	159 Å²	159	130.3 Å²	130.3	82%	0.815	75%	0.749	S	S	*	*			trans	-118.7	108.3	157	-48.9	-179.6	0	0	0	105.6	G98	G98-I100 PolarHBondContact O-N 3.27Å
101	S	41.8	Very low	43.8	Very low	83 Å²	83	130.5 Å²	130.5	58%	0.58	76%	0.755	S	S	*	*			trans	-56.8	138.3	172.1	53.8	0	0	0	0	111.6
102	N	43.7	Very low	43.6	Very low	160 Å²	160	132 Å²	132	86%	0.856	76%	0.758	S	S	*	*			trans	79.9	118.9	151.8	-46	-27.7	0	0	0	117.5
103	G	43.7	Very low	42.4	Very low	64 Å²	64	132 Å²	132	66%	0.66	76%	0.759	S	S	*	*			trans	125.3	98.2	149.5	0	0	0	0	0	115.7
104	D	39.9	Very low	42	Very low	165 Å²	165	131.7 Å²	131.7	88%	0.882	77%	0.767	S	S	*	*			trans	72.5	102.3	138.3	-51.3	-23.6	0	0	0	120.3
105	C	30.9	Very low	41.2	Very low	119 Å²	119	131.7 Å²	131.7	80%	0.804	78%	0.775	S	S	*	*			trans	-63.8	144.2	158	42.7	0	0	0	0	112.9
106	L	43.4	Very low	41.4	Very low	176 Å²	176	132.5 Å²	132.5	92%	0.921	78%	0.778	S	S	*	*			trans	-165.1	122.2	144.8	-102.6	161.3	0	0	0	110.8
107	N	34.4	Very low	40.7	Very low	159 Å²	159	130.9 Å²	130.9	85%	0.85	77%	0.774	S	S	*	*			trans	-79	145.7	172.8	-65.8	-25.1	0	0	0	110.8
108	S	43.1	Very low	40.9	Very low	106 Å²	106	128.6 Å²	128.6	74%	0.741	77%	0.771	S	S	*	*			trans	-159.4	95.7	143.3	66.7	0	0	0	0	107.2
109	S	44.1	Very low	40.7	Very low	91 Å²	91	131.9 Å²	131.9	64%	0.636	78%	0.779	S	S	*	*				71.3	106.8	95.7	63.7	0	0	0	0	112.9
110	D	43.2	Very low	40.9	Very low	143 Å²	143	132.7 Å²	132.7	77%	0.765	78%	0.777	S	S	*	*			trans	45.4	125	132.7	-44.1	-36.8	0	0	0	118.5
111	T	46.5	Very low	40.5	Very low	126 Å²	126	133.2 Å²	133.2	77%	0.773	78%	0.776	S	S	*	*				174.6	134.7	103.7	22.7	0	0	0	0	114.2
112	E	45	Very low	40	Very low	168 Å²	168	136.6 Å²	136.6	79%	0.785	79%	0.787	S	S	*	*			trans	84.8	105	139.2	-54.6	-98.6	134.1	0	0	120.5
113	D	35.3	Very low	39.8	Very low	154 Å²	154	134.8 Å²	134.8	82%	0.824	78%	0.782	S	S	*	*				27.4	116.3	125.3	-71.8	-7.5	0	0	0	119.4
114	S	42	Very low	39.3	Very low	118 Å²	118	136 Å²	136	83%	0.825	78%	0.78	S	S	*	*			trans	-156.5	118.2	142.8	-165.7	0	0	0	0	112.6
115	V	36.9	Very low	38.9	Very low	124 Å²	124	139.6 Å²	139.6	75%	0.752	78%	0.782	S	S	*	*			trans	-62.7	130	174.6	172.5	0	0	0	0	111
116	V	44.3	Very low	39.1	Very low	129 Å²	129	139 Å²	139	78%	0.782	78%	0.775	S	S	*	*			trans	-147	94.8	156.4	-94.3	0	0	0	0	111.4
117	T	32.6	Very low	38.6	Very low	115 Å²	115	138.5 Å²	138.5	71%	0.706	77%	0.772	S	S	*	*			trans	-62.9	129.9	146.6	42.5	0	0	0	0	109.7
118	N	47.2	Very low	38.8	Very low	141 Å²	141	137.7 Å²	137.7	75%	0.754	76%	0.763	S	S	*	*			trans	-170.2	97.2	154.6	-82	-34.7	0	0	0	105.9
119	V	34.3	Very low	38.3	Very low	128 Å²	128	138.6 Å²	138.6	78%	0.776	77%	0.765	S	S	*	*				33.4	99.4	86.9	-173.1	0	0	0	0	112
120	L	41.7	Very low	38	Very low	158 Å²	158	141.4 Å²	141.4	83%	0.827	77%	0.772	S	S	*	*			trans	-139.5	88.5	155.6	-131.9	130.1	0	0	0	108.6
121	Q	36.3	Very low	37.4	Very low	170 Å²	170	138.9 Å²	138.9	79%	0.794	77%	0.765	S	S	*	*			trans	-61.5	137	147.7	-86.9	174.5	-19.8	0	0	108.3
122	D	30.9	Very low	37.2	Very low	154 Å²	154	138.5 Å²	138.5	82%	0.824	77%	0.765	S	S	*	*			trans	56.1	98.8	134.4	-149.1	8.8	0	0	0	116.5
123	V	39.7	Very low	36.7	Very low	123 Å²	123	136.6 Å²	136.6	75%	0.745	77%	0.765	S	S	*	*			trans	-162.7	112.1	152.5	134.8	0	0	0	0	110
124	S	34.3	Very low	36.9	Very low	88 Å²	88	137 Å²	137	62%	0.615	77%	0.766	S	S	*	*			trans	71.4	103.5	134.6	-45	0	0	0	0	120.1	T126	S124-T126 PolarHBondContact O-N 3.43Å
125	R	30.3	Very low	36.6	Very low	242 Å²	242	139.2 Å²	139.2	91%	0.913	77%	0.768	S	S	*	*				16.3	98.7	120.7	-71	177.9	113.7	101.6	-0.4	114.5
126	T	36.5	Very low	36.5	Very low	107 Å²	107	140.6 Å²	140.6	66%	0.656	77%	0.77	S	S	*	*			trans	-141.4	111.3	145.9	45.3	0	0	0	0	107.7	S124 H128	S124-T126 PolarHBondContact O-N 3.43Å; T126-H128 PolarHBondContact O-N 3.35Å; T126-H128 PolarHBondContact O-ND1 2.98Å
127	D	32.6	Very low	36.3	Very low	164 Å²	164	143.9 Å²	143.9	88%	0.877	78%	0.775	S	S	*	*			trans	-60.5	103.3	168.2	-61.9	-56.6	0	0	0	108.2
128	H	39.2	Very low	36.4	Very low	142 Å²	142	145.7 Å²	145.7	66%	0.657	78%	0.78	S	S	*	*			trans	-114.2	89.3	167.6	45.6	-77.6	0	0	0	108.6	T126 L130	T126-H128 PolarHBondContact O-N 3.35Å; T126-H128 PolarHBondContact O-ND1 2.98Å; H128-L130 VanDerWaalsContact C-N 3.34Å; H128-L130 PolarHBondContact O-N 3.15Å
129	T	31.6	Very low	36.1	Very low	126 Å²	126	146.1 Å²	146.1	77%	0.773	78%	0.782	S	S	*	*			trans	-52.9	90.7	164.1	-49.2	0	0	0	0	109.9
130	L	38.6	Very low	36.2	Very low	149 Å²	149	144.6 Å²	144.6	78%	0.78	78%	0.777	S	S	*	*			trans	-98.3	87.4	166.2	-70.2	174.7	0	0	0	108.1	H128 P132	H128-L130 VanDerWaalsContact C-N 3.34Å; H128-L130 PolarHBondContact O-N 3.15Å; L130-P132 WeakPolarHBondContact O-CD 3.16Å
131	S	30.6	Very low	36.1	Very low	91 Å²	91	144.5 Å²	144.5	64%	0.636	78%	0.777	S	S	*	*			trans	-50.4	125.8	165.2	-77.9	0	0	0	0	110.3	T133	S131-T133 PolarHBondContact O-N 2.8Å; S131-T133 VanDerWaalsContact O-N 3.1Å
132	P	41.2	Very low	35.9	Very low	117 Å²	117	143.8 Å²	143.8	76%	0.76	78%	0.779	S	S	*	*			trans	-67.4	108.1	154	-4.9	21.6	0	0	0	106.4	L130 L134	L130-P132 WeakPolarHBondContact O-CD 3.16Å; P132-L134 VanDerWaalsContact C-N 3.28Å; P132-L134 PolarHBondContact O-N 3.34Å
133	T	34	Very low	36.4	Very low	129 Å²	129	143.8 Å²	143.8	79%	0.791	78%	0.779	S	S	*	*			trans	-56	90.7	166.4	-55.2	0	0	0	0	109.2	S131	S131-T133 PolarHBondContact O-N 2.8Å; S131-T133 VanDerWaalsContact O-N 3.1Å
134	L	41.4	Very low	36	Very low	162 Å²	162	145.2 Å²	145.2	85%	0.848	78%	0.783	S	S	*	*			trans	-137.3	56.5	160.9	-69.1	-174.3	0	0	0	109.1	P132	P132-L134 VanDerWaalsContact C-N 3.28Å; P132-L134 PolarHBondContact O-N 3.34Å
135	L	34.7	Very low	36.4	Very low	164 Å²	164	147.7 Å²	147.7	86%	0.859	79%	0.794	S	S	*	*			trans	-94.8	104.2	157.8	-67.7	-177.3	0	0	0	107.5
136	L	34.2	Very low	37	Very low	153 Å²	153	144.6 Å²	144.6	80%	0.801	79%	0.787	S	S	*	*			trans	-175.7	80.4	135.5	-140.2	76.3	0	0	0	111.3
137	F	39.8	Very low	37.7	Very low	199 Å²	199	143.2 Å²	143.2	87%	0.873	79%	0.786	S	S	*	*			trans	-152.7	70.9	149.9	-67.5	-64	0	0	0	107.7
138	D	35.2	Very low	38.3	Very low	153 Å²	153	141.6 Å²	141.6	82%	0.818	79%	0.785	S	S	*	*			trans	-113.2	75.2	163.6	-140	-5.6	0	0	0	106.2	S140	D138-S140 PolarHBondContact O-N 3.44Å
139	D	40.8	Very low	38.8	Very low	150 Å²	150	140 Å²	140	80%	0.802	79%	0.786	S	S	*	*			trans	-85	85.1	-178.4	-83.8	-31.4	0	0	0	109.6
140	S	36.3	Very low	39.4	Very low	96 Å²	96	139.2 Å²	139.2	67%	0.671	78%	0.781	S	S	*	*			trans	-119.6	73	157.8	31	0	0	0	0	109.9	D138	D138-S140 PolarHBondContact O-N 3.44Å
141	N	39.7	Very low	39.9	Very low	155 Å²	155	137.7 Å²	137.7	83%	0.829	78%	0.779	S	S	*	*			trans	-177.7	124.9	138.3	-98.3	-41.7	0	0	0	111	N143	N141-N143 PolarHBondContact O-N 3.16Å; N141-N143 VanDerWaalsContact O-N 3.15Å
142	N	32.6	Very low	40.7	Very low	155 Å²	155	139.8 Å²	139.8	83%	0.829	78%	0.782	S	S	*	*			trans	-40	118.5	156.2	-90.7	-46.3	0	0	0	109.6
143	N	41.3	Very low	40.9	Very low	155 Å²	155	141.5 Å²	141.5	83%	0.829	78%	0.783	S	S	*	*			trans	-178.7	126.2	139.9	-81.4	-31.5	0	0	0	108.9	N141 V145	N141-N143 PolarHBondContact O-N 3.16Å; N141-N143 VanDerWaalsContact O-N 3.15Å; N143-V145 PolarHBondContact O-N 3.19Å
144	D	32.3	Very low	41.6	Very low	153 Å²	153	145.7 Å²	145.7	82%	0.818	79%	0.785	S	S	*	*			trans	-41.4	114.1	177.9	-67.9	-61.7	0	0	0	115.1
145	V	41.7	Very low	41.6	Very low	140 Å²	140	141.2 Å²	141.2	85%	0.848	78%	0.777	S	S	*	*			trans	-143.9	107.7	152	-177.4	0	0	0	0	109	N143 A147	N143-V145 PolarHBondContact O-N 3.19Å; V145-A147 PolarHBondContact O-N 3Å
146	F	42.8	Very low	42.4	Very low	177 Å²	177	142.6 Å²	142.6	78%	0.776	78%	0.776	S	S	*	*			trans	-53.9	119.7	175.8	-79.4	-105.7	0	0	0	111.5
147	A	51.2	Low	43	Very low	77 Å²	77	143.5 Å²	143.5	64%	0.636	78%	0.781	S	S	*	*			trans	-60.2	141.5	157.2	0	0	0	0	0	108.6	V145 T149	V145-A147 PolarHBondContact O-N 3Å; A147-T149 PolarHBondContact O-N 3.45Å; A147-T149 PolarHBondContact O-OG1 3.47Å
148	P	46.4	Very low	43.4	Very low	130 Å²	130	139.4 Å²	139.4	84%	0.844	77%	0.772	S	S	*	*			trans	-61.6	104.2	-175	1.7	4.1	0	0	0	109.3	T150	P148-T150 PolarHBondContact O-N 3.31Å
149	T	48.5	Very low	43.9	Very low	110 Å²	110	138 Å²	138	68%	0.675	77%	0.771	S	S	*	*			trans	-67.8	121.2	174.2	-49.6	0	0	0	0	106.2	A147 P151	A147-T149 PolarHBondContact O-N 3.45Å; A147-T149 PolarHBondContact O-OG1 3.47Å; T149-P151 WeakPolarHBondContact O-CD 3.37Å; T149-P151 VanDerWaalsContact O-N 3.16Å
150	T	44.4	Very low	44	Very low	109 Å²	109	140.2 Å²	140.2	67%	0.669	77%	0.774	S	S	*	*			trans	-52.9	123.8	168.3	37	0	0	0	0	107.9	P148 I152	P148-T150 PolarHBondContact O-N 3.31Å; T150-I152 PolarHBondContact O-N 2.98Å
151	P	48.8	Very low	44.3	Very low	116 Å²	116	140.4 Å²	140.4	75%	0.753	78%	0.775	S	S	*	*			trans	-72.4	94.4	-174.1	26.6	-31.9	0	0	0	109.5	T149 I153	T149-P151 WeakPolarHBondContact O-CD 3.37Å; T149-P151 VanDerWaalsContact O-N 3.16Å; P151-I153 PolarHBondContact O-N 3.38Å; P151-I153 VanDerWaalsContact O-N 3.11Å
152	I	46.6	Very low	44.2	Very low	135 Å²	135	140.8 Å²	140.8	69%	0.692	78%	0.777	S	S	*	*			trans	-77.9	90.6	166.2	-58.5	176.8	0	0	0	107	T150 R154	T150-I152 PolarHBondContact O-N 2.98Å; I152-R154 HydrophobicContact CG2-CG 4.15Å; I152-R154 PolarHBondContact O-N 3.42Å; I152-R154 VanDerWaalsContact O-N 3.1Å
153	I	46.8	Very low	44.6	Very low	153 Å²	153	138.5 Å²	138.5	79%	0.785	77%	0.774	S	S	*	*			trans	-72.8	100.9	169.1	-58.7	179	0	0	0	107.7	P151 G155	P151-I153 PolarHBondContact O-N 3.38Å; P151-I153 VanDerWaalsContact O-N 3.11Å; I153-G155 PolarHBondContact O-N 2.82Å
154	R	48.2	Very low	44.3	Very low	218 Å²	218	137.7 Å²	137.7	82%	0.823	77%	0.774	S	S	*	*			trans	-76.9	99.9	165.8	-69.5	-177	176.3	151.5	-0.8	108.2	I152 K156	I152-R154 HydrophobicContact CG2-CG 4.15Å; I152-R154 PolarHBondContact O-N 3.42Å; I152-R154 VanDerWaalsContact O-N 3.1Å; R154-K156 PolarHBondContact O-N 3.45Å; R154-K156 VanDerWaalsContact O-N 3.14Å
155	G	42	Very low	44.8	Very low	67 Å²	67	137.1 Å²	137.1	69%	0.691	77%	0.77	S	S	*	*			trans	-61.5	113.4	167.3	0	0	0	0	0	109.4	I153 L157	I153-G155 PolarHBondContact O-N 2.82Å; G155-L157 PolarHBondContact O-N 3.09Å; G155-L157 VanDerWaalsContact O-N 3.12Å
156	K	51.2	Low	44.7	Very low	194 Å²	194	137.5 Å²	137.5	84%	0.843	77%	0.767	S	S	*	*			trans	-68.3	105.4	164.7	-70.6	-174.8	177.8	-179.2	0	107.1	R154 V158	R154-K156 PolarHBondContact O-N 3.45Å; R154-K156 VanDerWaalsContact O-N 3.14Å; K156-V158 VanDerWaalsContact C-N 3.28Å; K156-V158 PolarHBondContact O-N 3.43Å
157	L	46.4	Very low	44.3	Very low	172 Å²	172	140.8 Å²	140.8	90%	0.901	77%	0.774	S	S	*	*			trans	-64.9	95.3	162.9	-92.8	157.3	0	0	0	107.4	G155	G155-L157 PolarHBondContact O-N 3.09Å; G155-L157 VanDerWaalsContact O-N 3.12Å
158	V	49.3	Very low	43.9	Very low	113 Å²	113	145.1 Å²	145.1	69%	0.685	78%	0.782	S	S	*	*			trans	-70.3	123.9	163.4	176.4	0	0	0	0	106.6	K156 K160	K156-V158 VanDerWaalsContact C-N 3.28Å; K156-V158 PolarHBondContact O-N 3.43Å; V158-K160 PolarHBondContact O-N 2.81Å
159	P	45.3	Very low	43.6	Very low	123 Å²	123	145.4 Å²	145.4	80%	0.799	78%	0.775	S	S	*	*			trans	-65.6	106.8	173.5	-11.7	25.6	0	0	0	108.1	S161	P159-S161 PolarHBondContact O-N 2.91Å
160	K	43.4	Very low	43.2	Very low	197 Å²	197	150 Å²	150	86%	0.857	79%	0.786	S	S	*	*			trans	-79.4	109.4	173	-162.9	162.6	178.5	171.5	0	108.1	V158 N162	V158-K160 PolarHBondContact O-N 2.81Å; K160-N162 PolarHBondContact O-N 3.43Å
161	S	41.3	Very low	42.9	Very low	100 Å²	100	153.9 Å²	153.9	70%	0.699	80%	0.797	S	S	*	*			trans	-50.7	119.8	168.9	52.4	0	0	0	0	111.3	P159	P159-S161 PolarHBondContact O-N 2.91Å
162	N	37	Very low	42.7	Very low	162 Å²	162	152.5 Å²	152.5	87%	0.866	79%	0.79	S	S	*	*			trans	17.6	99	146.7	-46.1	-11.1	0	0	0	117.1	K160	K160-N162 PolarHBondContact O-N 3.43Å
163	S	41.8	Very low	42.7	Very low	108 Å²	108	151.1 Å²	151.1	76%	0.755	79%	0.792	S	S	*	*			trans	-157.7	111	138.9	65.8	0	0	0	0	109.4	I165	S163-I165 PolarHBondContact O-N 2.69Å
164	T	35.1	Very low	42.5	Very low	138 Å²	138	151.2 Å²	151.2	85%	0.847	79%	0.794	S	S	*	*			trans	-36.4	125.2	161.5	-49.7	0	0	0	0	111.3
165	I	43	Very low	42.8	Very low	141 Å²	141	145.3 Å²	145.3	72%	0.723	79%	0.786	S	S	*	*			trans	-176.1	114.1	148.1	-88	142.8	0	0	0	107.5	S163	S163-I165 PolarHBondContact O-N 2.69Å
166	N	39.3	Very low	43.5	Very low	148 Å²	148	146.6 Å²	146.6	79%	0.791	77%	0.774	S	S	*	*			trans	64	101.2	150.1	-53.8	-10.4	0	0	0	120.1	E168	N166-E168 PolarHBondContact O-N 3.36Å
167	R	35.3	Very low	43.8	Very low	245 Å²	245	144.6 Å²	144.6	93%	0.925	77%	0.767	S	S	*	*			trans	-61.8	107.7	149.2	171.2	-169.6	-84.8	-141	-3.7	109
168	E	41.9	Very low	44	Very low	169 Å²	169	143 Å²	143	79%	0.79	75%	0.75	S	S	*	*			trans	169	145.9	146	-99.5	173.7	-173.2	0	0	110.5	N166	N166-E168 PolarHBondContact O-N 3.36Å
169	L	40.8	Very low	44.4	Very low	136 Å²	136	140.7 Å²	140.7	71%	0.712	73%	0.733	S	S	*	*			trans	75.8	76.9	164.5	-61.9	153.3	0	0	0	118
170	F	40	Very low	44.8	Very low	206 Å²	206	137.7 Å²	137.7	90%	0.904	72%	0.715	S	S	*	*			trans	-138.2	77.4	133.9	-97	-79.6	0	0	0	108.7	S172	F170-S172 PolarHBondContact O-N 3.28Å
171	E	37.4	Very low	45.2	Very low	191 Å²	191	136.4 Å²	136.4	89%	0.893	71%	0.706	S	S	*	*			trans	-81.7	92.1	165.2	-141.5	160.7	-159.5	0	0	106.4
172	S	45.5	Very low	45.7	Very low	87 Å²	87	140.1 Å²	140.1	61%	0.608	71%	0.705	S	S	*	*			trans	-140.7	101.9	175.9	55.2	0	0	0	0	110.2	F170	F170-S172 PolarHBondContact O-N 3.28Å
173	S	44.9	Very low	46.7	Very low	105 Å²	105	139.9 Å²	139.9	73%	0.734	70%	0.699	S	S	*	*			trans	55.8	87.2	142.9	-170	0	0	0	0	117.5	S175	S173-S175 PolarHBondContact O-N 2.97Å; S173-S175 PolarHBondContact O-OG 3.2Å
174	N	42.6	Very low	47.1	Very low	156 Å²	156	141.6 Å²	141.6	83%	0.834	70%	0.699	S	S	*	*			trans	-11.9	85.4	147.5	-160.8	5.7	0	0	0	116.5
175	S	55.9	Low	48.1	Very low	93 Å²	93	141.7 Å²	141.7	65%	0.65	69%	0.688	S	S	*	*			trans	-138.7	5.6	174.4	62.4	0	0	0	0	115	S173	S173-S175 PolarHBondContact O-N 2.97Å; S173-S175 PolarHBondContact O-OG 3.2Å
176	Q	57.2	Low	48.3	Very low	95 Å²	95	138.5 Å²	138.5	44%	0.444	69%	0.69	S	S	.	*			trans	-130.9	40.8	-173.7	-64.3	-82	-18	0	0	112.1	W178 L179	Q176-W178 PolarHBondContact O-N 3.28Å; Q176-W178 VanDerWaalsContact O-N 3.15Å; Q176-L179 HydrophobicContact CB-CB 4.18Å; Q176-L179 HydrophobicContact CB-CD1 3.86Å; Q176-L179 HydrophobicContact CB-CG 4.1Å; Q176-L179 HydrophobicContact CG-CD1 3.98Å; Q176-L179 WeakPolarHBondContact O-CB 3.27Å; Q176-L179 PolarHBondContact O-N 3Å
177	H	57.1	Low	48.7	Very low	151 Å²	151	135.3 Å²	135.3	70%	0.699	68%	0.678	S	S	*	*	H	α-helix	trans	-55.6	-30.7	176.4	-178.9	-93.7	0	0	0	112.9	L179 S180	H177-L179 VanDerWaalsContact C-N 3.31Å; H177-L179 PolarHBondContact O-N 2.93Å; H177-S180 WeakPolarHBondContact CA-OG 3.21Å; H177-S180 PolarHBondContact O-N 3.14Å; H177-S180 PolarHBondContact O-OG 3.22Å
178	W	51.2	Low	49.2	Very low	139 Å²	139	131.4 Å²	131.4	53%	0.527	67%	0.674	S	S	.	*	H	α-helix	trans	-70.9	-23.2	176.2	75.1	-88.2	0	0	0	113.3	Q176	Q176-W178 PolarHBondContact O-N 3.28Å; Q176-W178 VanDerWaalsContact O-N 3.15Å
179	L	56.5	Low	49.4	Very low	64 Å²	64	130.5 Å²	130.5	34%	0.335	67%	0.669	S	S	.	*	H	α-helix	trans	-74.4	-37.2	173.8	-73.1	-177.2	0	0	0	111.8	Q176 H177 Y181 R182 Q183	Q176-L179 HydrophobicContact CB-CB 4.18Å; Q176-L179 HydrophobicContact CB-CD1 3.86Å; Q176-L179 HydrophobicContact CB-CG 4.1Å; Q176-L179 HydrophobicContact CG-CD1 3.98Å; Q176-L179 WeakPolarHBondContact O-CB 3.27Å; Q176-L179 PolarHBondContact O-N 3Å; H177-L179 VanDerWaalsContact C-N 3.31Å; H177-L179 PolarHBondContact O-N 2.93Å; L179-Y181 VanDerWaalsContact C-N 3.26Å; L179-Y181 PolarHBondContact O-N 3.12Å; L179-R182 PolarHBondContact O-N 3.1Å; L179-Q183 PolarHBondContact O-N 3.48Å
180	S	53.8	Low	49.3	Very low	61 Å²	61	127 Å²	127	43%	0.427	67%	0.666	S	S	.	*	H	α-helix	trans	-59.1	-37.1	176.7	26.1	0	0	0	0	112.4	H177 R182 Q183 D184	H177-S180 WeakPolarHBondContact CA-OG 3.21Å; H177-S180 PolarHBondContact O-N 3.14Å; H177-S180 PolarHBondContact O-OG 3.22Å; S180-R182 VanDerWaalsContact C-N 3.3Å; S180-R182 PolarHBondContact O-N 3.44Å; S180-Q183 PolarHBondContact O-N 2.95Å; S180-D184 WeakPolarHBondContact O-CB 3.47Å; S180-D184 PolarHBondContact O-N 3.21Å
181	Y	52.2	Low	49.4	Very low	169 Å²	169	123.1 Å²	123.1	66%	0.663	66%	0.655	S	S	*	*	H	α-helix	trans	-60.3	-38	174.9	177.6	-103.7	0	0	0	113	L179	L179-Y181 VanDerWaalsContact C-N 3.26Å; L179-Y181 PolarHBondContact O-N 3.12Å
182	R	51.5	Low	49.9	Very low	178 Å²	178	122.3 Å²	122.3	67%	0.672	66%	0.656	S	S	*	*	H	α-helix	trans	-79.1	-24.3	179.1	-71.6	-175.2	161.7	-173.5	-3.8	113.3	L179 S180	L179-R182 PolarHBondContact O-N 3.1Å; S180-R182 VanDerWaalsContact C-N 3.3Å; S180-R182 PolarHBondContact O-N 3.44Å
183	Q	57.1	Low	50.1	Low	158 Å²	158	122.9 Å²	122.9	74%	0.738	65%	0.652	S	S	*	*	H	α-helix	trans	-84.6	-35.6	-179.8	-148.3	102	33.8	0	0	112.2	L179 S180	L179-Q183 PolarHBondContact O-N 3.48Å; S180-Q183 PolarHBondContact O-N 2.95Å
184	D	51.5	Low	49.8	Very low	143 Å²	143	123 Å²	123	77%	0.765	65%	0.654	S	S	*	*	H	α-helix	trans	-71.6	-32.2	-177.8	-170.1	53.2	0	0	0	112.5	S180 G186	S180-D184 WeakPolarHBondContact O-CB 3.47Å; S180-D184 PolarHBondContact O-N 3.21Å; D184-G186 PolarHBondContact O-N 3.11Å
185	K	56.1	Low	50	Low	140 Å²	140	123.6 Å²	123.6	61%	0.609	66%	0.656	S	S	*	*	S	Bend	trans	-87.2	90.2	167.7	-63.5	-80.2	180	171.8	0	107.5	C187	K185-C187 PolarHBondContact O-N 3.03Å
186	G	45.9	Very low	49.2	Very low	75 Å²	75	126.8 Å²	126.8	77%	0.773	66%	0.66	S	S	*	*			trans	-57.8	54.2	-179.2	0	0	0	0	0	116.2	D184 I188	D184-G186 PolarHBondContact O-N 3.11Å; G186-I188 PolarHBondContact O-N 3.46Å
187	C	48.7	Very low	48.3	Very low	80 Å²	80	129.8 Å²	129.8	54%	0.541	68%	0.68	S	S	.	*			trans	-95.3	82.6	-176.9	-150.7	0	0	0	0	109	K185 H189	K185-C187 PolarHBondContact O-N 3.03Å; C187-H189 PolarHBondContact O-N 2.83Å; C187-H189 PolarHBondContact SG-CD2 2.92Å; C187-H189 PolarHBondContact SG-CE1 3.24Å; C187-H189 PolarHBondContact SG-NE2 2.81Å
188	I	46.3	Very low	47.4	Very low	163 Å²	163	128.3 Å²	128.3	84%	0.836	69%	0.686	S	S	*	*			trans	-72.3	78.5	158.1	-45.4	170.9	0	0	0	105.5	G186 G190	G186-I188 PolarHBondContact O-N 3.46Å; I188-G190 PolarHBondContact O-N 3.04Å
189	H	45.1	Very low	46.6	Very low	150 Å²	150	126.3 Å²	126.3	69%	0.694	69%	0.693	S	S	*	*			trans	-68.7	90.9	158.7	-74.5	-48.9	0	0	0	105.9	C187 L191	C187-H189 PolarHBondContact O-N 2.83Å; C187-H189 PolarHBondContact SG-CD2 2.92Å; C187-H189 PolarHBondContact SG-CE1 3.24Å; C187-H189 PolarHBondContact SG-NE2 2.81Å; H189-L191 VanDerWaalsContact C-N 3.31Å; H189-L191 PolarHBondContact O-N 3.11Å
190	G	39.7	Very low	45.8	Very low	63 Å²	63	131.8 Å²	131.8	65%	0.649	72%	0.717	S	S	*	*			trans	-55.3	103	164	0	0	0	0	0	106.9	I188 N192	I188-G190 PolarHBondContact O-N 3.04Å; G190-N192 PolarHBondContact O-N 3.29Å
191	L	42.2	Very low	44.9	Very low	125 Å²	125	137.2 Å²	137.2	65%	0.654	74%	0.736	S	S	*	*			trans	-64.8	126	175.1	-60.4	175.3	0	0	0	106.7	H189 D193	H189-L191 VanDerWaalsContact C-N 3.31Å; H189-L191 PolarHBondContact O-N 3.11Å; L191-D193 WeakPolarHBondContact CB-OD1 3.43Å; L191-D193 PolarHBondContact O-N 2.84Å
192	N	47.2	Very low	44.1	Very low	174 Å²	174	134.1 Å²	134.1	93%	0.93	74%	0.735	S	S	*	*			trans	-90.4	39.5	-173.3	-148.2	45.2	0	0	0	110.9	G190	G190-N192 PolarHBondContact O-N 3.29Å
193	D	48.6	Very low	43.1	Very low	98 Å²	98	132.9 Å²	132.9	52%	0.524	74%	0.741	S	S	.	*			trans	-117.8	26	-165	53.2	-9.1	0	0	0	113.7	L191 L195	L191-D193 WeakPolarHBondContact CB-OD1 3.43Å; L191-D193 PolarHBondContact O-N 2.84Å; D193-L195 PolarHBondContact O-N 2.82Å
194	S	39.5	Very low	42.2	Very low	109 Å²	109	130.8 Å²	130.8	76%	0.762	74%	0.744	S	S	*	*			trans	-67.5	76.6	158.3	-74.9	0	0	0	0	110.5	E196	S194-E196 PolarHBondContact O-N 3.3Å
195	L	47.4	Very low	41.1	Very low	168 Å²	168	130.3 Å²	130.3	88%	0.88	75%	0.747	S	S	*	*			trans	-83.5	65.7	163	-97.8	164.3	0	0	0	108.7	D193	D193-L195 PolarHBondContact O-N 2.82Å
196	E	39.3	Very low	40.4	Very low	160 Å²	160	131.2 Å²	131.2	75%	0.748	76%	0.757	S	S	*	*			trans	-106.2	111.8	167.2	-61.6	-175.7	-160.4	0	0	106.4	S194	S194-E196 PolarHBondContact O-N 3.3Å
197	N	37.3	Very low	39.6	Very low	158 Å²	158	136.2 Å²	136.2	85%	0.845	76%	0.759	S	S	*	*			trans	94	82.2	166.7	-44.4	-1.4	0	0	0	116.6
198	S	38.2	Very low	39.2	Very low	119 Å²	119	137.8 Å²	137.8	83%	0.832	77%	0.772	S	S	*	*			trans	-159.1	98.9	140.2	-165.9	0	0	0	0	110.6
199	S	35.3	Very low	38.4	Very low	98 Å²	98	137.9 Å²	137.9	69%	0.685	77%	0.768	S	S	*	*			trans	-77	164.9	160.7	39.5	0	0	0	0	110.7
200	E	39.8	Very low	37.9	Very low	178 Å²	178	137.6 Å²	137.6	83%	0.832	77%	0.767	S	S	*	*			trans	93.2	99.4	166.7	-55.1	172.2	-161.1	0	0	115.4
201	Q	33.5	Very low	37.5	Very low	175 Å²	175	140.5 Å²	140.5	82%	0.818	77%	0.772	S	S	*	*				89.7	112.7	64.1	-164.5	172	71.1	0	0	112.9
202	T	34.8	Very low	37.2	Very low	104 Å²	104	143.4 Å²	143.4	64%	0.638	77%	0.774	S	S	*	*			trans	80.9	116.8	147.1	52	0	0	0	0	123.3
203	N	31.2	Very low	36.4	Very low	152 Å²	152	144 Å²	144	81%	0.813	77%	0.772	S	S	*	*				64.5	111.1	122.3	-55.8	-10.4	0	0	0	120.7
204	S	38	Very low	36	Very low	115 Å²	115	146.2 Å²	146.2	80%	0.804	78%	0.777	S	S	*	*			trans	-154.3	112.5	140.7	62.8	0	0	0	0	111.8
205	T	29.5	Very low	36	Very low	133 Å²	133	146 Å²	146	82%	0.816	78%	0.775	S	S	*	*			trans	-49.4	138.7	155.8	-55.4	0	0	0	0	111.2
206	I	40.7	Very low	35.8	Very low	159 Å²	159	144.4 Å²	144.4	82%	0.815	77%	0.768	S	S	*	*			trans	-168.1	135.1	146.4	-91.8	143	0	0	0	110.8
207	H	29.3	Very low	36.1	Very low	179 Å²	179	141.3 Å²	141.3	83%	0.829	76%	0.755	S	S	*	*			trans	-55	136	166.5	-95.8	-108	0	0	0	114.2
208	S	40	Very low	36.4	Very low	114 Å²	114	138.4 Å²	138.4	80%	0.797	74%	0.744	S	S	*	*			trans	-175.6	145.3	132.2	49.3	0	0	0	0	112.1
209	H	29	Very low	36.5	Very low	165 Å²	165	135 Å²	135	76%	0.764	72%	0.72	S	S	*	*			trans	-86.6	118	-173.6	165.8	-77.7	0	0	0	110.9
210	E	35.5	Very low	36.8	Very low	144 Å²	144	138.2 Å²	138.2	67%	0.673	72%	0.721	S	S	*	*			trans	-141	113.3	167.5	-82.6	-179.5	165.4	0	0	110.1	W212	E210-W212 WeakPolarHBondContact OE2-CZ2 3.46Å
211	T	30.7	Very low	36.9	Very low	123 Å²	123	133.7 Å²	133.7	76%	0.755	71%	0.709	S	S	*	*			trans	-73.3	124.3	168.6	41.9	0	0	0	0	109.6
212	W	35.6	Very low	37.4	Very low	186 Å²	186	130.4 Å²	130.4	71%	0.705	70%	0.704	S	S	*	*			trans	-110.5	113.4	173.9	-65.5	95.6	0	0	0	109.8	E210 F214	E210-W212 WeakPolarHBondContact OE2-CZ2 3.46Å; W212-F214 HydrophobicContact CB-CD2 4.2Å; W212-F214 HydrophobicContact CB-CE2 3.88Å; W212-F214 PolarHBondContact O-N 3.12Å
213	E	31.9	Very low	37.5	Very low	187 Å²	187	130.5 Å²	130.5	87%	0.874	70%	0.696	S	S	*	*			trans	-69.2	104.3	165.1	-74.4	-178.5	155.5	0	0	108.9	S215	E213-S215 PolarHBondContact O-N 3.1Å; E213-S215 VanDerWaalsContact O-N 3.14Å
214	F	38.9	Very low	37.8	Very low	145 Å²	145	132.6 Å²	132.6	64%	0.636	70%	0.698	S	S	*	*			trans	-81.8	87	171.9	-82.8	-88.6	0	0	0	109.6	W212 I217	W212-F214 HydrophobicContact CB-CD2 4.2Å; W212-F214 HydrophobicContact CB-CE2 3.88Å; W212-F214 PolarHBondContact O-N 3.12Å; F214-I217 HydrophobicContact CD1-CD1 4.21Å; F214-I217 HydrophobicContact CD1-CG1 4.25Å
215	S	40.2	Very low	37.6	Very low	104 Å²	104	136.4 Å²	136.4	73%	0.727	70%	0.7	S	S	*	*			trans	-76.3	117.7	162.8	35	0	0	0	0	109.1	E213	E213-S215 PolarHBondContact O-N 3.1Å; E213-S215 VanDerWaalsContact O-N 3.14Å
216	N	43.1	Very low	37.9	Very low	135 Å²	135	135.7 Å²	135.7	72%	0.722	70%	0.695	S	S	*	*			trans	41.5	93.1	166.2	-61.2	-25.4	0	0	0	116.2	T218	N216-T218 PolarHBondContact O-N 2.92Å
217	I	46	Very low	37.5	Very low	94 Å²	94	136 Å²	136	48%	0.482	69%	0.691	S	S	.	*			trans	-68	87.8	164.8	-64.8	167.5	0	0	0	107.9	F214	F214-I217 HydrophobicContact CD1-CD1 4.21Å; F214-I217 HydrophobicContact CD1-CG1 4.25Å
218	T	42.9	Very low	37.8	Very low	98 Å²	98	135.6 Å²	135.6	60%	0.601	69%	0.694	S	S	*	*			trans	-82.6	116.5	163.9	47.2	0	0	0	0	107	N216 K220	N216-T218 PolarHBondContact O-N 2.92Å; T218-K220 VanDerWaalsContact C-N 3.3Å; T218-K220 PolarHBondContact O-N 3.47Å
219	C	39.9	Very low	37.7	Very low	48 Å²	48	137.6 Å²	137.6	32%	0.324	70%	0.695	S	S	.	*			trans	-68.3	89.5	177.6	-173.2	0	0	0	0	109.8	W58 S221 C222	W58-C219 HydrophobicContact CH2-CB 3.99Å; W58-C219 HydrophobicContact CZ3-CB 4.41Å; C219-S221 PolarHBondContact O-N 3.29Å; C219-S221 VanDerWaalsContact O-N 3.09Å; C219-C222 PolarHBondContact O-N 3.29Å
220	K	42.7	Very low	38	Very low	165 Å²	165	136.7 Å²	136.7	72%	0.717	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-3	175.5	-74.9	178.8	177	172.8	0	113.9	T218 C222 F223	T218-K220 VanDerWaalsContact C-N 3.3Å; T218-K220 PolarHBondContact O-N 3.47Å; K220-C222 VanDerWaalsContact C-N 3.33Å; K220-F223 PolarHBondContact O-N 2.8Å
221	S	42.4	Very low	38.6	Very low	82 Å²	82	141.1 Å²	141.1	57%	0.573	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-13	175.8	-158	0	0	0	0	113.8	C219	C219-S221 PolarHBondContact O-N 3.29Å; C219-S221 VanDerWaalsContact O-N 3.09Å
222	C	42.7	Very low	39	Very low	106 Å²	106	142.1 Å²	142.1	72%	0.716	72%	0.72	S	S	*	*	S	Bend	trans	-84.3	-11.7	165.7	-66.6	0	0	0	0	112.5	C219 K220 K224	C219-C222 PolarHBondContact O-N 3.29Å; K220-C222 VanDerWaalsContact C-N 3.33Å; C222-K224 PolarHBondContact O-N 3.19Å
223	F	37.5	Very low	39.2	Very low	106 Å²	106	139.7 Å²	139.7	47%	0.465	72%	0.721	S	S	.	*			trans	-92.7	20.3	-170.9	-111.8	-81.8	0	0	0	115.6	Y68 K220 F225	Y68-F223 HydrophobicContact CE1-CE2 4.19Å; Y68-F223 AromaticContact CZ-CE2 3.91Å; Y68-F223 WeakPolarHBondContact OH-CE2 3.46Å; Y68-F223 WeakPolarHBondContact OH-CZ 3.49Å; K220-F223 PolarHBondContact O-N 2.8Å; F223-F225 VanDerWaalsContact C-N 3.29Å; F223-F225 PolarHBondContact O-N 3.15Å
224	K	37.2	Very low	39.6	Very low	197 Å²	197	137.1 Å²	137.1	86%	0.857	71%	0.713	S	S	*	*	S	Bend	trans	-85.4	17.7	-179	-120.9	-177.9	-176.8	-177.2	0	115.3	C222	C222-K224 PolarHBondContact O-N 3.19Å
225	F	34.2	Very low	39.6	Very low	194 Å²	194	136.6 Å²	136.6	85%	0.851	72%	0.717	S	S	*	*	S	Bend	trans	-136.9	-5.4	177.3	-121.2	-90.1	0	0	0	119.5	F223	F223-F225 VanDerWaalsContact C-N 3.29Å; F223-F225 PolarHBondContact O-N 3.15Å
226	V	35.3	Very low	39.6	Very low	119 Å²	119	138.7 Å²	138.7	72%	0.721	72%	0.717	S	S	*	*	S	Bend	trans	-127.7	4.4	-170.9	-169.6	0	0	0	0	116.3
227	K	32.8	Very low	39.3	Very low	165 Å²	165	138.9 Å²	138.9	72%	0.717	72%	0.716	S	S	*	*			trans	-109.8	53.2	170.1	-150.7	168.5	-175.6	168.4	0	113.3
228	L	35.2	Very low	38.9	Very low	171 Å²	171	142.1 Å²	142.1	90%	0.895	73%	0.733	S	S	*	*	S	Bend	trans	-110	11.7	158.5	-145	91.4	0	0	0	112.2
229	L	38	Very low	38.6	Very low	155 Å²	155	145.5 Å²	145.5	81%	0.812	74%	0.743	S	S	*	*			trans	-128.1	33.8	-173.8	-130.8	96.8	0	0	0	114.3
230	L	36.5	Very low	38.4	Very low	146 Å²	146	153.7 Å²	153.7	76%	0.764	78%	0.778	S	S	*	*			trans	-129.3	62.1	168	-92.6	164.1	0	0	0	109.7
231	L	47	Very low	38.1	Very low	238 Å²	238	152.6 Å²	152.6	100%	1.246	78%	0.783	S	S	*	*			trans	-155.8	0	154.8	-98.2	169	0	0	0	105.8

Retrieved 231 of 231 residues in 73.2 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).