A0A5K4F8S8_SCHMA Loading...

Trematode Eggshell Synthesis domain containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8S8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 220 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	66	Low	87.1	Confident	148 Å²	148	120.4 Å²	120.4	73%	0.729	60%	0.597	S	S	*	*				0	115.6	0	-81	179.8	79.5	0	0	108.6	M5 K6 I9	M1-M5 HydrophobicContact CE-CB 3.95Å; M1-M5 HydrophobicContact CE-CE 4.37Å; M1-K6 HydrophobicContact CB-CG 4.46Å; M1-K6 HydrophobicContact CE-CG 4.47Å; M1-I9 HydrophobicContact CE-CD1 3.38Å
2	D	85.5	Confident	86.9	Confident	127 Å²	127	123 Å²	123	68%	0.679	60%	0.603	S	S	*	*			trans	-58.6	151.8	175.3	-67.5	-40.8	0	0	0	111.5	K4 M5 K6	D2-K4 PolarHBondContact O-N 3.32Å; D2-K4 VanDerWaalsContact O-N 3.11Å; D2-M5 WeakPolarHBondContact O-CB 3.45Å; D2-M5 PolarHBondContact O-N 2.95Å; D2-K6 PolarHBondContact O-N 3.11Å
3	I	91	Very high	86.6	Confident	149 Å²	149	121.3 Å²	121.3	76%	0.764	60%	0.597	S	S	*	*	H	α-helix	trans	-58	-30.4	-178.1	-140.7	131.8	0	0	0	111.6	K6 L7	I3-K6 PolarHBondContact O-N 3.36Å; I3-L7 PolarHBondContact O-N 3.15Å; I3-L7 VanDerWaalsContact O-N 3.13Å
4	K	87.8	Confident	86.1	Confident	169 Å²	169	119.7 Å²	119.7	74%	0.735	59%	0.591	S	S	*	*	H	α-helix	trans	-62.1	-42.2	174.1	-66.5	-174.9	178.2	-179.3	0	112.5	D2 L7 L8	D2-K4 PolarHBondContact O-N 3.32Å; D2-K4 VanDerWaalsContact O-N 3.11Å; K4-L7 PolarHBondContact O-N 2.76Å; K4-L8 PolarHBondContact O-N 3.38Å; K4-L8 VanDerWaalsContact O-N 3.15Å
5	M	90.7	Very high	85.4	Confident	102 Å²	102	115.5 Å²	115.5	50%	0.502	58%	0.578	S	S	.	*	H	α-helix	trans	-66	-38	177.9	-92.2	-75.3	-90.7	0	0	111.9	M1 D2 I9	M1-M5 HydrophobicContact CE-CB 3.95Å; M1-M5 HydrophobicContact CE-CE 4.37Å; D2-M5 WeakPolarHBondContact O-CB 3.45Å; D2-M5 PolarHBondContact O-N 2.95Å; M5-I9 WeakPolarHBondContact O-CD1 3.42Å; M5-I9 WeakPolarHBondContact O-CG1 3.34Å; M5-I9 PolarHBondContact O-N 3.13Å
6	K	88.9	Confident	84.4	Confident	133 Å²	133	111.6 Å²	111.6	58%	0.578	57%	0.565	S	S	*	*	H	α-helix	trans	-66.9	-39.3	176.9	-64.6	-176.4	-178.9	-178.3	0	112.2	M1 D2 I3 I9 L10	M1-K6 HydrophobicContact CB-CG 4.46Å; M1-K6 HydrophobicContact CE-CG 4.47Å; D2-K6 PolarHBondContact O-N 3.11Å; I3-K6 PolarHBondContact O-N 3.36Å; K6-I9 PolarHBondContact O-N 3.33Å; K6-L10 PolarHBondContact O-N 3.48Å
7	L	91.1	Very high	83.4	Confident	106 Å²	106	110.3 Å²	110.3	56%	0.555	56%	0.564	S	S	*	*	H	α-helix	trans	-66.6	-42.1	179.3	-170.2	70.8	0	0	0	112	I3 K4 I9 L10 I11	I3-L7 PolarHBondContact O-N 3.15Å; I3-L7 VanDerWaalsContact O-N 3.13Å; K4-L7 PolarHBondContact O-N 2.76Å; L7-I9 VanDerWaalsContact C-N 3.34Å; L7-I9 PolarHBondContact O-N 2.84Å; L7-L10 PolarHBondContact O-N 3.5Å; L7-I11 HydrophobicContact CG-CD1 4.18Å; L7-I11 WeakPolarHBondContact O-CG1 3.44Å; L7-I11 PolarHBondContact O-N 3.01Å
8	L	91.6	Very high	82	Confident	114 Å²	114	107.8 Å²	107.8	60%	0.597	56%	0.555	S	S	*	*	H	α-helix	trans	-61.2	-41.5	177.2	-80.6	168.6	0	0	0	112.5	K4 L10 I11 F12	K4-L8 PolarHBondContact O-N 3.38Å; K4-L8 VanDerWaalsContact O-N 3.15Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L10 PolarHBondContact O-N 2.99Å; L8-I11 PolarHBondContact O-N 3.08Å; L8-F12 WeakPolarHBondContact O-CB 3.27Å; L8-F12 PolarHBondContact O-N 3.32Å
9	I	89.3	Confident	80.6	Confident	81 Å²	81	105.3 Å²	105.3	42%	0.415	55%	0.552	S	S	.	*	H	α-helix	trans	-65.6	-38.4	178	-66	164.8	0	0	0	111.3	M1 M5 K6 L7 F12 L13	M1-I9 HydrophobicContact CE-CD1 3.38Å; M5-I9 WeakPolarHBondContact O-CD1 3.42Å; M5-I9 WeakPolarHBondContact O-CG1 3.34Å; M5-I9 PolarHBondContact O-N 3.13Å; K6-I9 PolarHBondContact O-N 3.33Å; L7-I9 VanDerWaalsContact C-N 3.34Å; L7-I9 PolarHBondContact O-N 2.84Å; I9-F12 PolarHBondContact O-N 3.21Å; I9-L13 HydrophobicContact CG2-CD1 4.18Å; I9-L13 PolarHBondContact O-N 3.27Å
10	L	89.3	Confident	79.1	Confident	98 Å²	98	107.9 Å²	107.9	51%	0.513	56%	0.561	S	S	.	*	H	α-helix	trans	-64.3	-45.1	176.6	-173.4	76.3	0	0	0	111.6	K6 L7 L8 F12 L13 I14	K6-L10 PolarHBondContact O-N 3.48Å; L7-L10 PolarHBondContact O-N 3.5Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L10 PolarHBondContact O-N 2.99Å; L10-F12 VanDerWaalsContact C-N 3.32Å; L10-F12 PolarHBondContact O-N 3.42Å; L10-L13 PolarHBondContact O-N 3.45Å; L10-I14 HydrophobicContact CG-CD1 4.27Å; L10-I14 WeakPolarHBondContact O-CG1 3.45Å; L10-I14 PolarHBondContact O-N 3.46Å; L10-I14 VanDerWaalsContact O-N 3.1Å
11	I	86.9	Confident	77.5	Confident	97 Å²	97	107.4 Å²	107.4	50%	0.497	56%	0.563	S	S	.	*	H	α-helix	trans	-62	-42.8	178.1	-66.3	167.7	0	0	0	110.2	L7 L8 L13 I14 S15	L7-I11 HydrophobicContact CG-CD1 4.18Å; L7-I11 WeakPolarHBondContact O-CG1 3.44Å; L7-I11 PolarHBondContact O-N 3.01Å; L8-I11 PolarHBondContact O-N 3.08Å; I11-L13 PolarHBondContact O-N 3.38Å; I11-I14 PolarHBondContact O-N 3.08Å; I11-S15 PolarHBondContact O-N 3.17Å; I11-S15 PolarHBondContact O-OG 3.23Å
12	F	84.4	Confident	76.6	Confident	152 Å²	152	108.5 Å²	108.5	67%	0.667	57%	0.566	S	S	*	*	H	α-helix	trans	-63.3	-37.4	177.2	-172.9	-97.2	0	0	0	113.2	L8 I9 L10 S15 S16	L8-F12 WeakPolarHBondContact O-CB 3.27Å; L8-F12 PolarHBondContact O-N 3.32Å; I9-F12 PolarHBondContact O-N 3.21Å; L10-F12 VanDerWaalsContact C-N 3.32Å; L10-F12 PolarHBondContact O-N 3.42Å; F12-S15 WeakPolarHBondContact CA-OG 3.4Å; F12-S15 PolarHBondContact O-OG 3.29Å; F12-S16 WeakPolarHBondContact O-CB 3.46Å; F12-S16 PolarHBondContact O-N 2.89Å; F12-S16 VanDerWaalsContact O-N 3.1Å; F12-S16 PolarHBondContact O-OG 3.05Å
13	L	82.9	Confident	74.4	Confident	101 Å²	101	113.4 Å²	113.4	53%	0.529	58%	0.575	S	S	.	*	H	α-helix	trans	-66.1	-38	174.4	-93.8	158.9	0	0	0	112.5	I9 L10 I11 S16 T17	I9-L13 HydrophobicContact CG2-CD1 4.18Å; I9-L13 PolarHBondContact O-N 3.27Å; L10-L13 PolarHBondContact O-N 3.45Å; I11-L13 PolarHBondContact O-N 3.38Å; L13-S16 WeakPolarHBondContact CA-OG 3.37Å; L13-S16 PolarHBondContact O-OG 3Å; L13-T17 WeakPolarHBondContact O-CG2 3.39Å; L13-T17 PolarHBondContact O-N 3.47Å; L13-T17 PolarHBondContact O-OG1 3.29Å
14	I	80.5	Confident	71.8	Confident	99 Å²	99	115.3 Å²	115.3	51%	0.508	58%	0.578	S	S	.	*	H	α-helix	trans	-69.7	-47.1	178.4	-64.6	165.7	0	0	0	110.1	L10 I11 S16 T17 T18	L10-I14 HydrophobicContact CG-CD1 4.27Å; L10-I14 WeakPolarHBondContact O-CG1 3.45Å; L10-I14 PolarHBondContact O-N 3.46Å; L10-I14 VanDerWaalsContact O-N 3.1Å; I11-I14 PolarHBondContact O-N 3.08Å; I14-S16 PolarHBondContact O-N 2.84Å; I14-T17 PolarHBondContact O-N 3.07Å; I14-T17 PolarHBondContact O-OG1 3.47Å; I14-T18 PolarHBondContact O-N 3.44Å; I14-T18 VanDerWaalsContact O-N 3.15Å; I14-T18 PolarHBondContact O-OG1 3.19Å
15	S	74.9	Confident	69.3	Low	57 Å²	57	110 Å²	110	40%	0.399	57%	0.571	S	S	.	*	H	α-helix	trans	-66.3	-35.4	-177.5	48	0	0	0	0	113.5	I11 F12 T18 A19	I11-S15 PolarHBondContact O-N 3.17Å; I11-S15 PolarHBondContact O-OG 3.23Å; F12-S15 WeakPolarHBondContact CA-OG 3.4Å; F12-S15 PolarHBondContact O-OG 3.29Å; S15-T18 WeakPolarHBondContact CA-OG1 3.29Å; S15-T18 PolarHBondContact O-N 3.17Å; S15-T18 PolarHBondContact O-OG1 3.25Å; S15-A19 PolarHBondContact O-N 3.1Å; S15-A19 VanDerWaalsContact O-N 3.15Å
16	S	70	Confident	66.6	Low	53 Å²	53	115.2 Å²	115.2	37%	0.371	59%	0.591	S	S	.	*	H	α-helix	trans	-63.2	-39.1	173.3	47.9	0	0	0	0	112.6	F12 L13 I14	F12-S16 WeakPolarHBondContact O-CB 3.46Å; F12-S16 PolarHBondContact O-N 2.89Å; F12-S16 VanDerWaalsContact O-N 3.1Å; F12-S16 PolarHBondContact O-OG 3.05Å; L13-S16 WeakPolarHBondContact CA-OG 3.37Å; L13-S16 PolarHBondContact O-OG 3Å; I14-S16 PolarHBondContact O-N 2.84Å
17	T	67.5	Low	64	Low	89 Å²	89	117.7 Å²	117.7	55%	0.546	61%	0.605	S	S	.	*	H	α-helix	trans	-70.7	-31.8	176.3	60.5	0	0	0	0	113.5	L13 I14 T21	L13-T17 WeakPolarHBondContact O-CG2 3.39Å; L13-T17 PolarHBondContact O-N 3.47Å; L13-T17 PolarHBondContact O-OG1 3.29Å; I14-T17 PolarHBondContact O-N 3.07Å; I14-T17 PolarHBondContact O-OG1 3.47Å; T17-T21 PolarHBondContact O-OG1 2.7Å
18	T	58.7	Low	61.4	Low	65 Å²	65	117.7 Å²	117.7	40%	0.399	61%	0.614	S	S	.	*	H	α-helix	trans	-75.7	-32.5	179.8	51.8	0	0	0	0	113.4	I14 S15 E20 T21 Q22	I14-T18 PolarHBondContact O-N 3.44Å; I14-T18 VanDerWaalsContact O-N 3.15Å; I14-T18 PolarHBondContact O-OG1 3.19Å; S15-T18 WeakPolarHBondContact CA-OG1 3.29Å; S15-T18 PolarHBondContact O-N 3.17Å; S15-T18 PolarHBondContact O-OG1 3.25Å; T18-E20 VanDerWaalsContact C-N 3.28Å; T18-E20 PolarHBondContact O-N 2.94Å; T18-T21 VanDerWaalsContact CA-OG1 3.31Å; T18-T21 WeakPolarHBondContact CA-OG1 3.45Å; T18-T21 PolarHBondContact O-N 3.1Å; T18-T21 PolarHBondContact O-OG1 3.49Å; T18-Q22 PolarHBondContact O-N 3.21Å
19	A	54	Low	58.7	Low	61 Å²	61	121.3 Å²	121.3	50%	0.504	63%	0.628	S	S	.	*	H	α-helix	trans	-63.6	-33.6	-179.8	0	0	0	0	0	112.3	S15	S15-A19 PolarHBondContact O-N 3.1Å; S15-A19 VanDerWaalsContact O-N 3.15Å
20	E	50.4	Low	56.2	Low	157 Å²	157	125.5 Å²	125.5	73%	0.734	65%	0.646	S	S	*	*	H	α-helix	trans	-76.8	-30.8	175.2	-64.5	-165.1	172.6	0	0	112.7	T18 Q22	T18-E20 VanDerWaalsContact C-N 3.28Å; T18-E20 PolarHBondContact O-N 2.94Å; E20-Q22 PolarHBondContact O-N 2.95Å
21	T	45.9	Very low	53.6	Low	98 Å²	98	129.4 Å²	129.4	60%	0.601	66%	0.662	S	S	*	*	H	α-helix	trans	-74.1	-20.1	177.1	40.7	0	0	0	0	114.6	T17 T18 R23 F24	T17-T21 PolarHBondContact O-OG1 2.7Å; T18-T21 VanDerWaalsContact CA-OG1 3.31Å; T18-T21 WeakPolarHBondContact CA-OG1 3.45Å; T18-T21 PolarHBondContact O-N 3.1Å; T18-T21 PolarHBondContact O-OG1 3.49Å; T21-R23 VanDerWaalsContact C-N 3.33Å; T21-F24 PolarHBondContact O-N 3.26Å
22	Q	46.6	Very low	51.1	Low	170 Å²	170	129.9 Å²	129.9	79%	0.794	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-7.8	177.9	-73.2	-170.9	-12.9	0	0	114.4	T18 E20	T18-Q22 PolarHBondContact O-N 3.21Å; E20-Q22 PolarHBondContact O-N 2.95Å
23	R	40.8	Very low	48.6	Very low	230 Å²	230	129.6 Å²	129.6	87%	0.868	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-8	170.4	-70.4	-166.6	176.2	-163.9	-0.3	113.7	T21 G25	T21-R23 VanDerWaalsContact C-N 3.33Å; R23-G25 VanDerWaalsContact C-N 3.31Å; R23-G25 PolarHBondContact O-N 2.81Å; R23-G25 VanDerWaalsContact O-N 3.1Å
24	F	36.2	Very low	46.3	Very low	190 Å²	190	131.4 Å²	131.4	83%	0.833	69%	0.685	S	S	*	*	S	Bend	trans	-86.3	79.9	169.5	-86.7	-82.5	0	0	0	110.6	T21	T21-F24 PolarHBondContact O-N 3.26Å
25	G	34	Very low	44.1	Very low	57 Å²	57	134.4 Å²	134.4	59%	0.588	70%	0.702	S	S	*	*			trans	37.8	91.7	141.7	0	0	0	0	0	117.2	R23 E27	R23-G25 VanDerWaalsContact C-N 3.31Å; R23-G25 PolarHBondContact O-N 2.81Å; R23-G25 VanDerWaalsContact O-N 3.1Å; G25-E27 PolarHBondContact O-N 3.3Å
26	F	34.7	Very low	42.3	Very low	211 Å²	211	138 Å²	138	93%	0.925	72%	0.721	S	S	*	*			trans	-65.4	84.6	139	-81.4	-96	0	0	0	107.4	S28	F26-S28 PolarHBondContact O-N 3.27Å; F26-S28 VanDerWaalsContact O-N 3.14Å
27	E	35.1	Very low	40.3	Very low	185 Å²	185	139 Å²	139	86%	0.864	74%	0.74	S	S	*	*			trans	-73.7	98.1	164	-77.9	-178.7	166.7	0	0	107.3	G25 E29	G25-E27 PolarHBondContact O-N 3.3Å; E27-E29 PolarHBondContact O-N 3.43Å
28	S	36.3	Very low	38.8	Very low	107 Å²	107	139.7 Å²	139.7	75%	0.748	75%	0.749	S	S	*	*			trans	-58.2	116.6	165.2	-69.2	0	0	0	0	109.2	F26 E30	F26-S28 PolarHBondContact O-N 3.27Å; F26-S28 VanDerWaalsContact O-N 3.14Å; S28-E30 PolarHBondContact O-N 2.98Å
29	E	35.4	Very low	37.6	Very low	189 Å²	189	148.6 Å²	148.6	88%	0.883	78%	0.775	S	S	*	*			trans	-66	92.1	167.4	-76.2	179.9	152.9	0	0	109.3	E27 Q31	E27-E29 PolarHBondContact O-N 3.43Å; E29-Q31 PolarHBondContact O-N 2.81Å
30	E	36.5	Very low	36.8	Very low	169 Å²	169	154.9 Å²	154.9	79%	0.79	79%	0.791	S	S	*	*			trans	-71.7	110.4	165.3	-85.2	-171.9	163.5	0	0	110	S28 T32	S28-E30 PolarHBondContact O-N 2.98Å; E30-T32 PolarHBondContact O-N 2.8Å; E30-T32 VanDerWaalsContact O-N 3.14Å
31	Q	33.4	Very low	36	Very low	181 Å²	181	154.4 Å²	154.4	85%	0.846	79%	0.794	S	S	*	*			trans	-67.3	99.9	172.3	-63.1	175.4	9	0	0	110.2	E29	E29-Q31 PolarHBondContact O-N 2.81Å
32	T	34.9	Very low	35.5	Very low	106 Å²	106	158.2 Å²	158.2	65%	0.65	81%	0.805	S	S	*	*			trans	-110.1	85.1	168.8	51.6	0	0	0	0	110.3	E30 N34	E30-T32 PolarHBondContact O-N 2.8Å; E30-T32 VanDerWaalsContact O-N 3.14Å; T32-N34 PolarHBondContact O-N 3.5Å; T32-N34 VanDerWaalsContact O-N 3.1Å
33	N	32.8	Very low	35.1	Very low	146 Å²	146	156.6 Å²	156.6	78%	0.781	81%	0.807	S	S	*	*			trans	-76.3	82.6	170.7	-82.4	-37.8	0	0	0	110.2	N35	N33-N35 PolarHBondContact O-N 3.4Å
34	N	34.7	Very low	34.9	Very low	139 Å²	139	154.1 Å²	154.1	74%	0.743	81%	0.805	S	S	*	*			trans	-86.1	89.2	171.1	-72	-30.6	0	0	0	110.2	T32 V36	T32-N34 PolarHBondContact O-N 3.5Å; T32-N34 VanDerWaalsContact O-N 3.1Å; N34-V36 PolarHBondContact O-N 3.21Å; N34-V36 VanDerWaalsContact O-N 3.09Å
35	N	33.3	Very low	34.9	Very low	163 Å²	163	148.1 Å²	148.1	87%	0.872	80%	0.797	S	S	*	*			trans	-66.8	90.7	165.4	-90.3	-37.1	0	0	0	109.8	N33	N33-N35 PolarHBondContact O-N 3.4Å
36	V	36.2	Very low	34.9	Very low	131 Å²	131	156.9 Å²	156.9	79%	0.794	81%	0.812	S	S	*	*			trans	-99.3	103.8	167.5	-178.9	0	0	0	0	108.4	N34 S38	N34-V36 PolarHBondContact O-N 3.21Å; N34-V36 VanDerWaalsContact O-N 3.09Å; V36-S38 PolarHBondContact O-N 3.15Å
37	G	29	Very low	35.1	Very low	76 Å²	76	152.9 Å²	152.9	78%	0.784	81%	0.805	S	S	*	*			trans	-70.6	110.6	174.3	0	0	0	0	0	111.3
38	S	35.5	Very low	35.2	Very low	103 Å²	103	152.1 Å²	152.1	72%	0.72	81%	0.807	S	S	*	*			trans	-92.8	109.2	167.6	63.2	0	0	0	0	109.7	V36 F40	V36-S38 PolarHBondContact O-N 3.15Å; S38-F40 PolarHBondContact O-N 3.34Å
39	R	34.3	Very low	35.1	Very low	252 Å²	252	152 Å²	152	95%	0.951	80%	0.802	S	S	*	*			trans	-60.4	120.4	165.7	-65.9	173.1	178	171.1	-1.5	107.9
40	F	37.3	Very low	35.2	Very low	192 Å²	192	154.2 Å²	154.2	84%	0.842	80%	0.802	S	S	*	*			trans	-112.3	115.9	175.8	-152.9	-92.9	0	0	0	108.7	S38	S38-F40 PolarHBondContact O-N 3.34Å
41	D	32.3	Very low	35.4	Very low	148 Å²	148	151.4 Å²	151.4	79%	0.791	80%	0.801	S	S	*	*			trans	-63.2	140.6	-177.5	-91.8	-43	0	0	0	112.5	T43	D41-T43 PolarHBondContact O-N 2.98Å
42	Q	35.6	Very low	35.6	Very low	177 Å²	177	154.6 Å²	154.6	83%	0.827	81%	0.806	S	S	*	*			trans	-76	109.6	178.1	-61.9	174	24.3	0	0	108.7
43	T	38.5	Very low	35.6	Very low	137 Å²	137	158.7 Å²	158.7	84%	0.84	82%	0.818	S	S	*	*			trans	-104.4	103.8	166	-5.6	0	0	0	0	108.7	D41 G45	D41-T43 PolarHBondContact O-N 2.98Å; T43-G45 PolarHBondContact O-N 3.15Å
44	E	36.5	Very low	35.9	Very low	177 Å²	177	161.1 Å²	161.1	83%	0.827	82%	0.822	S	S	*	*			trans	-67.3	87.1	177	-66.9	-177.7	155.2	0	0	111.1	R46	E44-R46 PolarHBondContact O-N 3.44Å
45	G	37.2	Very low	35.8	Very low	65 Å²	65	158 Å²	158	67%	0.67	82%	0.821	S	S	*	*			trans	-80.7	91.1	171.9	0	0	0	0	0	111.8	T43 T47	T43-G45 PolarHBondContact O-N 3.15Å; G45-T47 PolarHBondContact O-N 3.44Å
46	R	33.2	Very low	35.9	Very low	240 Å²	240	157.5 Å²	157.5	91%	0.906	82%	0.818	S	S	*	*			trans	-56.9	104.4	167.1	-75.5	175.5	164	173.3	-4.5	110.1	E44	E44-R46 PolarHBondContact O-N 3.44Å
47	T	39.5	Very low	35.7	Very low	127 Å²	127	154.5 Å²	154.5	78%	0.779	81%	0.813	S	S	*	*			trans	-89.3	109.9	174	41.8	0	0	0	0	109.5	G45 T49	G45-T47 PolarHBondContact O-N 3.44Å; T47-T49 PolarHBondContact O-N 3.27Å
48	N	36	Very low	35.8	Very low	169 Å²	169	154.1 Å²	154.1	90%	0.904	81%	0.809	S	S	*	*			trans	-64.4	128.1	171.5	-88.7	-25.9	0	0	0	109.9
49	T	35.5	Very low	35.9	Very low	105 Å²	105	154.9 Å²	154.9	64%	0.644	81%	0.814	S	S	*	*			trans	-90.9	158.4	-172	45.1	0	0	0	0	111.2	T47	T47-T49 PolarHBondContact O-N 3.27Å
50	R	36.7	Very low	36	Very low	236 Å²	236	148.4 Å²	148.4	89%	0.891	81%	0.808	S	S	*	*			trans	77.5	136.9	160.2	-59.2	155.8	-175.4	-163.1	2	115.4
51	S	40.2	Very low	36.1	Very low	110 Å²	110	144.2 Å²	144.2	77%	0.769	80%	0.802	S	S	*	*			cis	-167.8	102.6	-5.5	39.5	0	0	0	0	103.9
52	R	38.1	Very low	36.3	Very low	248 Å²	248	141.1 Å²	141.1	94%	0.936	81%	0.805	S	S	*	*			trans	-92.9	111.7	169.2	-81.4	-174.7	178.4	161	-0.2	107.4	F54	R52-F54 PolarHBondContact O-N 2.95Å
53	E	35.7	Very low	36.6	Very low	192 Å²	192	141.3 Å²	141.3	90%	0.897	81%	0.806	S	S	*	*			trans	-34.4	120.4	169.3	-89.1	167.4	138.9	0	0	111.7	G55	E53-G55 PolarHBondContact O-N 2.91Å
54	F	39.1	Very low	36.9	Very low	197 Å²	197	147 Å²	147	86%	0.864	81%	0.812	S	S	*	*			trans	-75.2	80.2	173.2	-139.9	-90.6	0	0	0	107.2	R52 I56	R52-F54 PolarHBondContact O-N 2.95Å; F54-I56 HydrophobicContact CD1-CG1 4.13Å; F54-I56 PolarHBondContact O-N 2.78Å
55	G	31.9	Very low	36.9	Very low	72 Å²	72	141.1 Å²	141.1	74%	0.742	80%	0.8	S	S	*	*			trans	-64.1	96.1	170.3	0	0	0	0	0	109.2	E53 G57	E53-G55 PolarHBondContact O-N 2.91Å; G55-G57 PolarHBondContact O-N 3.49Å
56	I	36	Very low	37	Very low	154 Å²	154	145.1 Å²	145.1	79%	0.79	81%	0.805	S	S	*	*			trans	-71.8	74.3	168.1	-58.1	172	0	0	0	106.5	F54 G58	F54-I56 HydrophobicContact CD1-CG1 4.13Å; F54-I56 PolarHBondContact O-N 2.78Å; I56-G58 PolarHBondContact O-N 3.38Å; I56-G58 VanDerWaalsContact O-N 3.08Å
57	G	31.9	Very low	37.3	Very low	68 Å²	68	141.1 Å²	141.1	70%	0.701	80%	0.796	S	S	*	*			trans	-69.9	99.4	171.9	0	0	0	0	0	108.7	G55 S59	G55-G57 PolarHBondContact O-N 3.49Å; G57-S59 PolarHBondContact O-N 2.88Å
58	G	31.3	Very low	37.4	Very low	67 Å²	67	138.3 Å²	138.3	69%	0.691	79%	0.786	S	S	*	*			trans	-60.2	106.4	168.6	0	0	0	0	0	109.7	I56 S60	I56-G58 PolarHBondContact O-N 3.38Å; I56-G58 VanDerWaalsContact O-N 3.08Å; G58-S60 VanDerWaalsContact C-N 3.25Å; G58-S60 PolarHBondContact O-N 3.3Å
59	S	38	Very low	37.7	Very low	120 Å²	120	135.5 Å²	135.5	84%	0.839	78%	0.78	S	S	*	*			trans	-77.3	79.3	172.2	56.2	0	0	0	0	109.9	G57 S61	G57-S59 PolarHBondContact O-N 2.88Å; S59-S61 PolarHBondContact O-N 3.38Å
60	S	35.8	Very low	37.9	Very low	116 Å²	116	140.7 Å²	140.7	81%	0.811	79%	0.794	S	S	*	*			trans	-75.7	91.7	160.5	58.5	0	0	0	0	109.1	G58	G58-S60 VanDerWaalsContact C-N 3.25Å; G58-S60 PolarHBondContact O-N 3.3Å
61	S	39.3	Very low	38.3	Very low	103 Å²	103	134.8 Å²	134.8	72%	0.72	78%	0.777	S	S	*	*			trans	-171.4	104.9	152	49.3	0	0	0	0	113.5	S59 Q63	S59-S61 PolarHBondContact O-N 3.38Å; S61-Q63 PolarHBondContact O-N 3.22Å
62	G	36.1	Very low	38.4	Very low	84 Å²	84	135.3 Å²	135.3	87%	0.866	78%	0.781	S	S	*	*				71.4	-2.6	115.5	0	0	0	0	0	122.1	R64	G62-R64 PolarHBondContact O-N 3.18Å
63	Q	43.1	Very low	38.8	Very low	181 Å²	181	126.3 Å²	126.3	85%	0.846	77%	0.765	S	S	*	*			trans	-88.4	90.1	177.6	-72.6	-170.8	-13.9	0	0	112	S61 G65	S61-Q63 PolarHBondContact O-N 3.22Å; Q63-G65 PolarHBondContact O-N 3.07Å
64	R	43.1	Very low	39	Very low	255 Å²	255	122.6 Å²	122.6	96%	0.962	76%	0.761	S	S	*	*			trans	-68.4	51.5	164.1	-67.2	-179.2	174.4	-176	-0.9	111.4	G62	G62-R64 PolarHBondContact O-N 3.18Å
65	G	37.3	Very low	39.3	Very low	55 Å²	55	116.1 Å²	116.1	57%	0.567	74%	0.74	S	S	*	*			trans	-85.4	133.3	176.2	0	0	0	0	0	110.9	Q63	Q63-G65 PolarHBondContact O-N 3.07Å
66	L	38.5	Very low	39.9	Very low	149 Å²	149	122.9 Å²	122.9	78%	0.78	74%	0.743	S	S	*	*			trans	-80.6	113.6	164.8	-75.3	164.1	0	0	0	107.9	A68	L66-A68 PolarHBondContact O-N 2.97Å
67	E	40.4	Very low	40.4	Very low	155 Å²	155	117.7 Å²	117.7	72%	0.724	72%	0.721	S	S	*	*			trans	-80.6	115.1	173	-168.6	-177	174	0	0	109.5
68	A	41.5	Very low	41	Very low	68 Å²	68	121.5 Å²	121.5	56%	0.562	72%	0.72	S	S	*	*			trans	-108.7	107.3	173.6	0	0	0	0	0	109.4	L66	L66-A68 PolarHBondContact O-N 2.97Å
69	S	42	Very low	41.6	Very low	111 Å²	111	126.1 Å²	126.1	78%	0.776	72%	0.717	S	S	*	*			trans	-88.4	125.6	172.5	51.6	0	0	0	0	110.3
70	K	40.7	Very low	42.1	Very low	214 Å²	214	127.5 Å²	127.5	93%	0.93	71%	0.708	S	S	*	*			trans	-97.5	112.5	173.3	-169.8	177.7	-178.9	-178.9	0	109.2
71	M	45	Very low	42.6	Very low	111 Å²	111	128.8 Å²	128.8	55%	0.547	70%	0.701	S	S	.	*			trans	-86.6	127.6	178.8	177.2	178.9	60.9	0	0	110.7	S95 R96	M71-S95 VanDerWaalsContact CE-CB 3.48Å; M71-S95 VanDerWaalsContact SD-CA 3.55Å; M71-R96 PolarHBondContact SD-N 3.22Å
72	S	42.2	Very low	42.9	Very low	122 Å²	122	135.9 Å²	135.9	85%	0.853	71%	0.712	S	S	*	*			trans	-105.6	136.6	166	88.5	0	0	0	0	109.8
73	G	45.9	Very low	43.7	Very low	58 Å²	58	140 Å²	140	60%	0.598	71%	0.706	S	S	*	*			trans	-149.1	140.7	176.5	0	0	0	0	0	109.3
74	S	41.1	Very low	44.3	Very low	115 Å²	115	142.7 Å²	142.7	80%	0.804	71%	0.71	S	S	*	*			trans	-77.8	126.4	174.6	59.4	0	0	0	0	109.8
75	S	43.7	Very low	45	Very low	61 Å²	61	132.1 Å²	132.1	43%	0.427	68%	0.681	S	S	.	*			trans	-102.9	126.9	169.2	-168.4	0	0	0	0	108.9	K92 Y111	S75-K92 PolarHBondContact OG-O 3.47Å; S75-Y111 PolarHBondContact OG-OH 3.22Å
76	R	45.3	Very low	46.2	Very low	213 Å²	213	134.8 Å²	134.8	80%	0.804	68%	0.678	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.5	109.1	166.5	-76.6	-177.5	164.7	-173.9	-4.7	107.9
77	S	45.8	Very low	47.2	Very low	46 Å²	46	129.9 Å²	129.9	32%	0.322	65%	0.653	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.2	127.9	172.3	58	0	0	0	0	109.7
78	H	44.4	Very low	48.4	Very low	148 Å²	148	127.3 Å²	127.3	69%	0.685	64%	0.639	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-104.1	121.2	170	-67.2	-80.7	0	0	0	108.6	K80 V90	H78-K80 PolarHBondContact O-N 2.8Å; H78-V90 PolarHBondContact N-O 3.35Å
79	Y	43.7	Very low	49.5	Very low	163 Å²	163	124.3 Å²	124.3	64%	0.639	61%	0.614	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80	110.5	176.1	-68.9	-84	0	0	0	109.3	H81 L87 A89	Y79-H81 PolarHBondContact O-N 2.96Å; Y79-L87 HydrophobicContact CD1-CD1 4.29Å; Y79-L87 HydrophobicContact CE1-CD1 4.35Å; Y79-A89 HydrophobicContact CD1-CB 4Å; Y79-A89 HydrophobicContact CE1-CB 3.87Å
80	K	49.7	Very low	50.8	Low	150 Å²	150	122 Å²	122	65%	0.652	60%	0.595	S	S	*	*			trans	-94.8	97.4	176	-135.9	-170.4	179.2	-179.1	0	108.5	H78	H78-K80 PolarHBondContact O-N 2.8Å
81	H	46.7	Very low	52	Low	142 Å²	142	112 Å²	112	66%	0.657	55%	0.553	S	S	*	*			trans	74	122.1	170.2	-47.6	-76.1	0	0	0	117.8	Y79 K83	Y79-H81 PolarHBondContact O-N 2.96Å; H81-K83 PolarHBondContact O-N 2.84Å
82	R	45.5	Very low	53.1	Low	252 Å²	252	112.1 Å²	112.1	95%	0.951	55%	0.55	S	S	*	*			trans	-87.4	83.2	161.5	-68.1	173.5	106.6	173.5	3.9	108.3
83	K	51.7	Low	54.2	Low	170 Å²	170	109.9 Å²	109.9	74%	0.739	53%	0.525	S	S	*	.	B	Isolated β-bridge	trans	-85	136.2	159.3	-83.2	-167.9	176.4	-174.3	0	107.6	H81 G85 H86	H81-K83 PolarHBondContact O-N 2.84Å; K83-G85 PolarHBondContact O-N 3.27Å; K83-G85 VanDerWaalsContact O-N 3.17Å; K83-H86 PolarHBondContact O-N 2.89Å
84	Y	55.1	Low	55.1	Low	239 Å²	239	116.2 Å²	116.2	94%	0.937	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.6	123.8	175	-84.1	-92.2	0	0	0	110.3	H86	Y84-H86 PolarHBondContact O-N 2.92Å
85	G	59	Low	56.1	Low	33 Å²	33	111.8 Å²	111.8	34%	0.34	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	-16.2	173.4	0	0	0	0	0	117.6	K83 K116 F117	K83-G85 PolarHBondContact O-N 3.27Å; K83-G85 VanDerWaalsContact O-N 3.17Å; G85-K116 WeakPolarHBondContact O-CA 3.31Å; G85-F117 PolarHBondContact O-N 3.15Å; G85-F117 VanDerWaalsContact O-N 3.08Å
86	H	61.3	Low	56.9	Low	111 Å²	111	116.8 Å²	116.8	51%	0.514	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	116.3	-177.3	-61.5	-63.4	0	0	0	112.3	K83 Y84	K83-H86 PolarHBondContact O-N 2.89Å; Y84-H86 PolarHBondContact O-N 2.92Å
87	L	61.2	Low	57.6	Low	46 Å²	46	108.7 Å²	108.7	24%	0.241	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	120.4	169.7	-173.2	75.6	0	0	0	108.7	Y79 E114 G115 F117	Y79-L87 HydrophobicContact CD1-CD1 4.29Å; Y79-L87 HydrophobicContact CE1-CD1 4.35Å; L87-E114 CarbonylContact O-C 3.45Å; L87-E114 WeakPolarHBondContact O-CA 3.02Å; L87-G115 PolarHBondContact N-O 2.87Å; L87-G115 PolarHBondContact O-N 2.87Å; L87-F117 HydrophobicContact CB-CE2 3.88Å; L87-F117 HydrophobicContact CB-CZ 4.26Å
88	K	65.1	Low	58.1	Low	101 Å²	101	112.5 Å²	112.5	44%	0.439	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	108.3	166.9	-170.8	171.1	-171.7	163.1	0	109.1	V90 V112 I113 E114	K88-V90 HydrophobicContact CG-CG2 4.39Å; K88-V112 HydrophobicContact CG-CG1 4.23Å; K88-I113 WeakPolarHBondContact CA-O 3.47Å; K88-E114 VanDerWaalsContact CE-OE1 3.3Å; K88-E114 WeakPolarHBondContact CE-OE1 3.33Å; K88-E114 HydrophobicContact CG-CG 4.4Å; K88-E114 IonicContact NZ-OE1 3Å; K88-E114 PolarHBondContact NZ-OE1 2.86Å
89	A	63.9	Low	58.8	Low	5 Å²	5	106.8 Å²	106.8	4%	0.041	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123.1	173.1	0	0	0	0	0	109	Y79 V112 I113	Y79-A89 HydrophobicContact CD1-CB 4Å; Y79-A89 HydrophobicContact CE1-CB 3.87Å; A89-V112 CarbonylContact O-C 3.58Å; A89-V112 WeakPolarHBondContact O-CA 3.06Å; A89-I113 HydrophobicContact CB-CB 4.38Å; A89-I113 PolarHBondContact N-O 3.1Å; A89-I113 PolarHBondContact O-N 2.91Å
90	V	68.9	Low	59.3	Low	62 Å²	62	109.9 Å²	109.9	38%	0.376	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.7	175.4	-177.3	0	0	0	0	107.9	H78 K88 Y111 V112	H78-V90 PolarHBondContact N-O 3.35Å; K88-V90 HydrophobicContact CG-CG2 4.39Å; V90-Y111 WeakPolarHBondContact CA-O 3.45Å; V90-V112 HydrophobicContact CG1-CG2 4.33Å; V90-V112 HydrophobicContact CG2-CG1 4.17Å; V90-V112 HydrophobicContact CG2-CG2 4.24Å
91	G	67	Low	60.1	Low	5 Å²	5	110 Å²	110	5%	0.052	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	167.2	178.6	0	0	0	0	0	112.2	Y111	G91-Y111 VanDerWaalsContact C-CE1 3.45Å; G91-Y111 PolarHBondContact N-O 2.9Å; G91-Y111 WeakPolarHBondContact O-CD1 2.94Å; G91-Y111 PolarHBondContact O-N 2.75Å; G91-Y111 VanDerWaalsContact O-O 3.09Å
92	K	68.7	Low	60.7	Low	112 Å²	112	105.4 Å²	105.4	49%	0.487	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132.7	169.1	-53.5	-174.1	-160.4	-164.5	0	107	S75 T109 Y110	S75-K92 PolarHBondContact OG-O 3.47Å; K92-T109 WeakPolarHBondContact CA-O 3.45Å; K92-Y110 HydrophobicContact CD-CD1 3.87Å; K92-Y110 HydrophobicContact CD-CE1 3.36Å; K92-Y110 HydrophobicContact CD-CE2 4.47Å; K92-Y110 HydrophobicContact CG-CD1 3.68Å; K92-Y110 HydrophobicContact CG-CE1 3.74Å; K92-Y110 HydrophobicContact CG-CG 4.31Å; K92-Y110 VanDerWaalsContact NZ-CE1 3.25Å; K92-Y110 PolarHBondContact NZ-OH 3.08Å
93	F	65.2	Low	61.4	Low	75 Å²	75	97.9 Å²	97.9	33%	0.329	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	139.5	165.9	76.2	-101.9	0	0	0	108.7	S108 T109 Y111	F93-S108 CarbonylContact O-C 3.54Å; F93-S108 WeakPolarHBondContact O-CA 3.3Å; F93-T109 HydrophobicContact CD1-CG2 4.24Å; F93-T109 HydrophobicContact CE1-CG2 3.4Å; F93-T109 VanDerWaalsContact CE1-CG2 3.4Å; F93-T109 HydrophobicContact CZ-CG2 3.63Å; F93-T109 PolarHBondContact N-O 3.49Å; F93-T109 PolarHBondContact O-N 2.82Å; F93-Y111 HydrophobicContact CB-CD1 4.41Å; F93-Y111 HydrophobicContact CB-CE1 4.24Å; F93-Y111 AromaticContact CD1-CD1 3.83Å; F93-Y111 HydrophobicContact CD1-CD1 3.83Å; F93-Y111 HydrophobicContact CD1-CE1 4.44Å
94	R	63.5	Low	61.9	Low	191 Å²	191	94.5 Å²	94.5	72%	0.721	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	113.1	169.5	-75.9	179.2	174.9	163.3	-2.1	107.2	E107	R94-E107 CarbonylContact C-O 3.48Å; R94-E107 WeakPolarHBondContact CA-O 3.39Å
95	S	62.6	Low	61.9	Low	22 Å²	22	84.6 Å²	84.6	15%	0.154	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	140.6	167.7	46.3	0	0	0	0	109.2	M71 S106 E107	M71-S95 VanDerWaalsContact CE-CB 3.48Å; M71-S95 VanDerWaalsContact SD-CA 3.55Å; S95-S106 WeakPolarHBondContact O-CA 3.45Å; S95-E107 PolarHBondContact N-O 2.96Å; S95-E107 PolarHBondContact O-N 3.26Å; S95-E107 PolarHBondContact OG-O 2.87Å
96	R	60.7	Low	62	Low	167 Å²	167	86.1 Å²	86.1	63%	0.63	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.8	166.9	-68.8	-174.2	176.7	163.5	-2.9	108.1	M71 S105	M71-R96 PolarHBondContact SD-N 3.22Å; R96-S105 WeakPolarHBondContact CA-O 3.45Å
97	G	60.8	Low	61.8	Low	42 Å²	42	85 Å²	85	43%	0.433	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	158.5	179.3	0	0	0	0	0	110.4	G99 S105	G97-G99 PolarHBondContact O-N 2.79Å; G97-S105 PolarHBondContact N-O 3.1Å; G97-S105 PolarHBondContact O-N 2.92Å
98	L	56.3	Low	62	Low	126 Å²	126	85.8 Å²	85.8	66%	0.66	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	116.1	167	-141.7	74.9	0	0	0	107.7	G102 V104	L98-G102 VanDerWaalsContact CD1-O 3.3Å; L98-G102 WeakPolarHBondContact CD1-O 3.3Å; L98-V104 HydrophobicContact CD1-CG2 3.9Å
99	G	57.9	Low	61.9	Low	28 Å²	28	81.7 Å²	81.7	29%	0.289	42%	0.424	S	S	.	.			trans	-70.8	174.2	174.3	0	0	0	0	0	111.4	G97 H101 G102 I103	G97-G99 PolarHBondContact O-N 2.79Å; G99-H101 PolarHBondContact O-N 3.48Å; G99-G102 PolarHBondContact O-N 2.93Å; G99-I103 PolarHBondContact N-O 2.91Å
100	R	54.9	Low	62.2	Low	229 Å²	229	88.1 Å²	88.1	86%	0.864	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-25.5	178.5	-78.3	-177.3	158.3	-152.6	-5.4	114.9
101	H	66	Low	61.8	Low	151 Å²	151	86.8 Å²	86.8	70%	0.699	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	14.9	-177.7	-59.7	89.1	0	0	0	113.4	G99 I103	G99-H101 PolarHBondContact O-N 3.48Å; H101-I103 PolarHBondContact O-N 2.88Å
102	G	58.5	Low	61.6	Low	47 Å²	47	89.1 Å²	89.1	49%	0.485	45%	0.45	S	S	.	.	S	Bend	trans	74.1	4.9	180	0	0	0	0	0	114.6	L98 G99	L98-G102 VanDerWaalsContact CD1-O 3.3Å; L98-G102 WeakPolarHBondContact CD1-O 3.3Å; G99-G102 PolarHBondContact O-N 2.93Å
103	I	61	Low	61.3	Low	94 Å²	94	86.8 Å²	86.8	48%	0.482	44%	0.442	S	S	.	.			trans	-95.6	133.5	-179.9	-56.1	169	0	0	0	109.5	G99 H101 S105	G99-I103 PolarHBondContact N-O 2.91Å; H101-I103 PolarHBondContact O-N 2.88Å; I103-S105 PolarHBondContact O-N 3.04Å; I103-S105 PolarHBondContact O-OG 3.4Å
104	V	62.7	Low	61.4	Low	99 Å²	99	88.2 Å²	88.2	60%	0.6	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	109.8	173.6	-179.2	0	0	0	0	109.3	L98	L98-V104 HydrophobicContact CD1-CG2 3.9Å
105	S	54.4	Low	61.5	Low	31 Å²	31	79.4 Å²	79.4	22%	0.217	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	146.5	179.5	-60.9	0	0	0	0	109.7	R96 G97 I103	R96-S105 WeakPolarHBondContact CA-O 3.45Å; G97-S105 PolarHBondContact N-O 3.1Å; G97-S105 PolarHBondContact O-N 2.92Å; I103-S105 PolarHBondContact O-N 3.04Å; I103-S105 PolarHBondContact O-OG 3.4Å
106	S	61.8	Low	61.7	Low	65 Å²	65	84.6 Å²	84.6	46%	0.455	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.4	172.1	53	0	0	0	0	110.1	S95	S95-S106 WeakPolarHBondContact O-CA 3.45Å
107	E	57.4	Low	62.1	Low	87 Å²	87	80.5 Å²	80.5	41%	0.407	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.8	175	-172.5	173.8	-179.4	0	0	109	R94 S95	R94-E107 CarbonylContact C-O 3.48Å; R94-E107 WeakPolarHBondContact CA-O 3.39Å; S95-E107 PolarHBondContact N-O 2.96Å; S95-E107 PolarHBondContact O-N 3.26Å; S95-E107 PolarHBondContact OG-O 2.87Å
108	S	64.2	Low	62.5	Low	62 Å²	62	80.3 Å²	80.3	43%	0.434	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	119.3	172.9	63.2	0	0	0	0	109.6	F93	F93-S108 CarbonylContact O-C 3.54Å; F93-S108 WeakPolarHBondContact O-CA 3.3Å
109	T	63	Low	63.2	Low	16 Å²	16	85 Å²	85	10%	0.098	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	134.5	176.4	-62.7	0	0	0	0	109.5	K92 F93 T132	K92-T109 WeakPolarHBondContact CA-O 3.45Å; F93-T109 HydrophobicContact CD1-CG2 4.24Å; F93-T109 HydrophobicContact CE1-CG2 3.4Å; F93-T109 VanDerWaalsContact CE1-CG2 3.4Å; F93-T109 HydrophobicContact CZ-CG2 3.63Å; F93-T109 PolarHBondContact N-O 3.49Å; F93-T109 PolarHBondContact O-N 2.82Å; T109-T132 HydrophobicContact CG2-CG2 3.74Å
110	Y	70.2	Confident	64.1	Low	140 Å²	140	91.9 Å²	91.9	55%	0.549	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	134.6	174.1	-67.6	-105	0	0	0	109.2	K92	K92-Y110 HydrophobicContact CD-CD1 3.87Å; K92-Y110 HydrophobicContact CD-CE1 3.36Å; K92-Y110 HydrophobicContact CD-CE2 4.47Å; K92-Y110 HydrophobicContact CG-CD1 3.68Å; K92-Y110 HydrophobicContact CG-CE1 3.74Å; K92-Y110 HydrophobicContact CG-CG 4.31Å; K92-Y110 VanDerWaalsContact NZ-CE1 3.25Å; K92-Y110 PolarHBondContact NZ-OH 3.08Å
111	Y	61.6	Low	64.6	Low	33 Å²	33	83.4 Å²	83.4	13%	0.129	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	147.4	173.6	69.8	-92.7	0	0	0	111.1	S75 V90 G91 F93 I113	S75-Y111 PolarHBondContact OG-OH 3.22Å; V90-Y111 WeakPolarHBondContact CA-O 3.45Å; G91-Y111 VanDerWaalsContact C-CE1 3.45Å; G91-Y111 PolarHBondContact N-O 2.9Å; G91-Y111 WeakPolarHBondContact O-CD1 2.94Å; G91-Y111 PolarHBondContact O-N 2.75Å; G91-Y111 VanDerWaalsContact O-O 3.09Å; F93-Y111 HydrophobicContact CB-CD1 4.41Å; F93-Y111 HydrophobicContact CB-CE1 4.24Å; F93-Y111 AromaticContact CD1-CD1 3.83Å; F93-Y111 HydrophobicContact CD1-CD1 3.83Å; F93-Y111 HydrophobicContact CD1-CE1 4.44Å; Y111-I113 HydrophobicContact CD2-CD1 4.07Å; Y111-I113 HydrophobicContact CD2-CG1 3.95Å; Y111-I113 HydrophobicContact CE2-CD1 4.02Å; Y111-I113 HydrophobicContact CE2-CG1 4.36Å
112	V	61.8	Low	64.8	Low	55 Å²	55	85.1 Å²	85.1	33%	0.333	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	92.5	178	-177.2	0	0	0	0	108.5	K88 A89 V90 E114 F130	K88-V112 HydrophobicContact CG-CG1 4.23Å; A89-V112 CarbonylContact O-C 3.58Å; A89-V112 WeakPolarHBondContact O-CA 3.06Å; V90-V112 HydrophobicContact CG1-CG2 4.33Å; V90-V112 HydrophobicContact CG2-CG1 4.17Å; V90-V112 HydrophobicContact CG2-CG2 4.24Å; V112-E114 HydrophobicContact CG1-CG 3.8Å; V112-E114 PolarHBondContact O-N 3.44Å; V112-F130 HydrophobicContact CB-CE1 4.25Å; V112-F130 HydrophobicContact CB-CZ 4.5Å; V112-F130 WeakPolarHBondContact O-CZ 3.49Å
113	I	62.6	Low	65	Low	62 Å²	62	89.4 Å²	89.4	32%	0.318	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	110.2	177.1	-61.3	167.6	0	0	0	107.1	K88 A89 Y111	K88-I113 WeakPolarHBondContact CA-O 3.47Å; A89-I113 HydrophobicContact CB-CB 4.38Å; A89-I113 PolarHBondContact N-O 3.1Å; A89-I113 PolarHBondContact O-N 2.91Å; Y111-I113 HydrophobicContact CD2-CD1 4.07Å; Y111-I113 HydrophobicContact CD2-CG1 3.95Å; Y111-I113 HydrophobicContact CE2-CD1 4.02Å; Y111-I113 HydrophobicContact CE2-CG1 4.36Å
114	E	66.9	Low	65.2	Low	106 Å²	106	90.9 Å²	90.9	50%	0.495	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.4	171.5	-55	-167.5	154.1	0	0	108.4	L87 K88 V112 T126	L87-E114 CarbonylContact O-C 3.45Å; L87-E114 WeakPolarHBondContact O-CA 3.02Å; K88-E114 VanDerWaalsContact CE-OE1 3.3Å; K88-E114 WeakPolarHBondContact CE-OE1 3.33Å; K88-E114 HydrophobicContact CG-CG 4.4Å; K88-E114 IonicContact NZ-OE1 3Å; K88-E114 PolarHBondContact NZ-OE1 2.86Å; V112-E114 HydrophobicContact CG1-CG 3.8Å; V112-E114 PolarHBondContact O-N 3.44Å; E114-T126 VanDerWaalsContact O-CB 3.3Å; E114-T126 WeakPolarHBondContact O-CB 3.47Å; E114-T126 WeakPolarHBondContact O-CG2 3.34Å; E114-T126 PolarHBondContact O-OG1 3.48Å
115	G	65.4	Low	65.1	Low	6 Å²	6	92 Å²	92	6%	0.062	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	140.7	178.2	0	0	0	0	0	110.2	L87	L87-G115 PolarHBondContact N-O 2.87Å; L87-G115 PolarHBondContact O-N 2.87Å
116	K	67.2	Low	65.3	Low	130 Å²	130	94 Å²	94	57%	0.565	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	137.6	163	-61.6	-171.9	-178.1	-179	0	108.2	G85 R124	G85-K116 WeakPolarHBondContact O-CA 3.31Å; K116-R124 WeakPolarHBondContact O-CB 3.36Å; K116-R124 PolarHBondContact O-N 3.32Å
117	F	69	Low	65.1	Low	82 Å²	82	97.8 Å²	97.8	36%	0.36	47%	0.466	S	S	.	.	B	Isolated β-bridge	trans	-79.5	146.7	167.3	-66.6	-80.3	0	0	0	109.2	G85 L87 G121 R122	G85-F117 PolarHBondContact O-N 3.15Å; G85-F117 VanDerWaalsContact O-N 3.08Å; L87-F117 HydrophobicContact CB-CE2 3.88Å; L87-F117 HydrophobicContact CB-CZ 4.26Å; F117-G121 VanDerWaalsContact CD1-O 3.29Å; F117-G121 WeakPolarHBondContact CD1-O 3.49Å; F117-R122 WeakPolarHBondContact CA-O 3.48Å
118	D	69.1	Low	64.7	Low	38 Å²	38	97.4 Å²	97.4	20%	0.203	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-71.3	168	165.5	-167.8	16	0	0	0	111.2	Y120 G121 R122 R124	D118-Y120 PolarHBondContact O-N 2.85Å; D118-Y120 VanDerWaalsContact O-N 3.08Å; D118-Y120 VanDerWaalsContact OD2-CD2 3.27Å; D118-Y120 WeakPolarHBondContact OD2-CD2 3.34Å; D118-G121 PolarHBondContact O-N 3.28Å; D118-R122 PolarHBondContact N-O 3.09Å; D118-R124 HydrophobicContact CB-CG 4.45Å; D118-R124 VanDerWaalsContact CG-NH2 3.31Å; D118-R124 IonicContact OD1-CZ 3.33Å; D118-R124 IonicContact OD1-NH1 3.36Å; D118-R124 PolarHBondContact OD1-NH1 3.14Å; D118-R124 IonicContact OD1-NH2 2.76Å; D118-R124 PolarHBondContact OD1-NH2 3.45Å; D118-R124 IonicContact OD2-NH2 3.86Å
119	R	72.1	Confident	64.3	Low	225 Å²	225	104.1 Å²	104.1	85%	0.849	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-26.8	171.6	-65.7	-173.1	-73	-173.9	-1.5	112.4
120	Y	76.1	Confident	63.7	Low	172 Å²	172	107.7 Å²	107.7	68%	0.675	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	10.9	175.9	-48.6	-69.4	0	0	0	114.3	D118 R122	D118-Y120 PolarHBondContact O-N 2.85Å; D118-Y120 VanDerWaalsContact O-N 3.08Å; D118-Y120 VanDerWaalsContact OD2-CD2 3.27Å; D118-Y120 WeakPolarHBondContact OD2-CD2 3.34Å; Y120-R122 PolarHBondContact O-N 3.32Å
121	G	64.6	Low	62.6	Low	50 Å²	50	109.1 Å²	109.1	52%	0.515	52%	0.518	S	S	.	.	S	Bend	trans	72.1	5.6	-179.6	0	0	0	0	0	115.1	F117 D118	F117-G121 VanDerWaalsContact CD1-O 3.29Å; F117-G121 WeakPolarHBondContact CD1-O 3.49Å; D118-G121 PolarHBondContact O-N 3.28Å
122	R	70.5	Confident	61.8	Low	187 Å²	187	112.2 Å²	112.2	71%	0.706	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-76.3	141.5	176.2	-62.9	-177.3	-179.3	-177.5	0.1	110.8	F117 D118 Y120 R124	F117-R122 WeakPolarHBondContact CA-O 3.48Å; D118-R122 PolarHBondContact N-O 3.09Å; Y120-R122 PolarHBondContact O-N 3.32Å; R122-R124 PolarHBondContact O-N 3.23Å
123	K	64.3	Low	61	Low	138 Å²	138	120.3 Å²	120.3	60%	0.6	57%	0.565	S	S	*	*	B	Isolated β-bridge	trans	-67.8	116.5	174.9	-174.4	-179.2	-179.7	-175.8	0	108.9
124	R	63.9	Low	60.1	Low	124 Å²	124	119 Å²	119	47%	0.468	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-67.2	139.9	170	-76.4	-170.1	157.7	97.7	8.9	109.3	K116 D118 R122 T126	K116-R124 WeakPolarHBondContact O-CB 3.36Å; K116-R124 PolarHBondContact O-N 3.32Å; D118-R124 HydrophobicContact CB-CG 4.45Å; D118-R124 VanDerWaalsContact CG-NH2 3.31Å; D118-R124 IonicContact OD1-CZ 3.33Å; D118-R124 IonicContact OD1-NH1 3.36Å; D118-R124 PolarHBondContact OD1-NH1 3.14Å; D118-R124 IonicContact OD1-NH2 2.76Å; D118-R124 PolarHBondContact OD1-NH2 3.45Å; D118-R124 IonicContact OD2-NH2 3.86Å; R122-R124 PolarHBondContact O-N 3.23Å; R124-T126 PolarHBondContact O-N 3.2Å
125	P	61.1	Low	59.1	Low	124 Å²	124	123.8 Å²	123.8	81%	0.805	59%	0.586	S	S	*	*			trans	-59.8	106.6	170.1	-15.6	27.7	0	0	0	108.4	N127	P125-N127 PolarHBondContact O-N 2.85Å
126	T	58.6	Low	58.1	Low	71 Å²	71	129.8 Å²	129.8	44%	0.436	61%	0.613	S	S	.	*			trans	-82.3	115.5	170.6	-46.7	0	0	0	0	107.4	E114 R124 S128	E114-T126 VanDerWaalsContact O-CB 3.3Å; E114-T126 WeakPolarHBondContact O-CB 3.47Å; E114-T126 WeakPolarHBondContact O-CG2 3.34Å; E114-T126 PolarHBondContact O-OG1 3.48Å; R124-T126 PolarHBondContact O-N 3.2Å; T126-S128 PolarHBondContact O-N 2.94Å
127	N	56.9	Low	57.3	Low	145 Å²	145	130.5 Å²	130.5	78%	0.775	62%	0.616	S	S	*	*			trans	-63.1	103.4	164.6	-68	-18.6	0	0	0	107.7	P125 K129	P125-N127 PolarHBondContact O-N 2.85Å; N127-K129 PolarHBondContact O-N 2.94Å
128	S	49	Very low	56.2	Low	80 Å²	80	135.8 Å²	135.8	56%	0.559	64%	0.639	S	S	*	*			trans	-61.7	120.9	177.3	147.3	0	0	0	0	109.5	T126 F130	T126-S128 PolarHBondContact O-N 2.94Å; S128-F130 VanDerWaalsContact C-N 3.27Å; S128-F130 PolarHBondContact O-N 2.85Å; S128-F130 WeakPolarHBondContact OG-CD2 3.32Å; S128-F130 PolarHBondContact OG-N 3.26Å
129	K	55.6	Low	55.2	Low	202 Å²	202	140 Å²	140	88%	0.878	65%	0.652	S	S	*	*			trans	-87.9	17.1	170.9	-61.6	-172.6	-178.3	-178.6	0	113	N127 K131	N127-K129 PolarHBondContact O-N 2.94Å; K129-K131 PolarHBondContact O-N 3.05Å
130	F	50.7	Low	53.7	Low	91 Å²	91	133.7 Å²	133.7	40%	0.399	64%	0.643	S	S	.	*			trans	-58.8	111.9	-177.5	-69.8	-56.8	0	0	0	111	V112 S128	V112-F130 HydrophobicContact CB-CE1 4.25Å; V112-F130 HydrophobicContact CB-CZ 4.5Å; V112-F130 WeakPolarHBondContact O-CZ 3.49Å; S128-F130 VanDerWaalsContact C-N 3.27Å; S128-F130 PolarHBondContact O-N 2.85Å; S128-F130 WeakPolarHBondContact OG-CD2 3.32Å; S128-F130 PolarHBondContact OG-N 3.26Å
131	K	47.1	Very low	52.3	Low	170 Å²	170	133.8 Å²	133.8	74%	0.739	65%	0.647	S	S	*	*			trans	-88.1	115.9	156.5	-62.7	-166.7	176.6	-168.9	0	106.2	K129 R133	K129-K131 PolarHBondContact O-N 3.05Å; K131-R133 VanDerWaalsContact C-N 3.26Å; K131-R133 HydrophobicContact CB-CG 4.36Å; K131-R133 PolarHBondContact O-N 3.04Å
132	T	45.8	Very low	51.3	Low	99 Å²	99	139.3 Å²	139.3	61%	0.607	66%	0.657	S	S	*	*			trans	-61.2	90.5	166.7	12.5	0	0	0	0	107.9	T109 G134	T109-T132 HydrophobicContact CG2-CG2 3.74Å; T132-G134 VanDerWaalsContact C-N 3.26Å; T132-G134 PolarHBondContact O-N 2.93Å
133	R	45.5	Very low	50.2	Low	224 Å²	224	136 Å²	136	85%	0.845	65%	0.652	S	S	*	*			trans	-90.1	66.4	171.4	-68.1	-175.4	177.4	165.1	-2	108.4	K131	K131-R133 VanDerWaalsContact C-N 3.26Å; K131-R133 HydrophobicContact CB-CG 4.36Å; K131-R133 PolarHBondContact O-N 3.04Å
134	G	43	Very low	49.4	Very low	36 Å²	36	132.4 Å²	132.4	37%	0.371	64%	0.642	S	S	.	*			trans	-81.9	131.8	167.3	0	0	0	0	0	109.5	T132 E136	T132-G134 VanDerWaalsContact C-N 3.26Å; T132-G134 PolarHBondContact O-N 2.93Å; G134-E136 PolarHBondContact O-N 2.88Å
135	K	45.7	Very low	48.8	Very low	205 Å²	205	132.6 Å²	132.6	89%	0.891	65%	0.652	S	S	*	*			trans	-75.5	113.6	157.4	-73	-173.2	178.9	-177.6	0	105.6	K137	K135-K137 PolarHBondContact O-N 2.94Å; K135-K137 VanDerWaalsContact O-N 3.15Å
136	E	44.6	Very low	48.8	Very low	132 Å²	132	130.7 Å²	130.7	62%	0.617	64%	0.635	S	S	*	*			trans	-52.8	123	168.3	-174.2	177.9	-171.8	0	0	107.5	G134 K138	G134-E136 PolarHBondContact O-N 2.88Å; E136-K138 VanDerWaalsContact C-N 3.31Å; E136-K138 PolarHBondContact O-N 3.06Å
137	K	50.3	Low	48.6	Very low	146 Å²	146	133.2 Å²	133.2	64%	0.635	64%	0.642	S	S	*	*			trans	-64.1	100.8	169.7	-80.1	-165.2	175.6	-172.7	0	106.7	K135 Y139	K135-K137 PolarHBondContact O-N 2.94Å; K135-K137 VanDerWaalsContact O-N 3.15Å; K137-Y139 VanDerWaalsContact C-N 3.3Å; K137-Y139 HydrophobicContact CB-CE2 4.44Å; K137-Y139 WeakPolarHBondContact O-CD2 3.3Å; K137-Y139 PolarHBondContact O-N 2.97Å
138	K	45.8	Very low	48.6	Very low	192 Å²	192	132.2 Å²	132.2	84%	0.835	63%	0.631	S	S	*	*			trans	-64.4	97.9	163.6	-66.4	-173.6	179.5	-174.1	0	106.2	E136 S140	E136-K138 VanDerWaalsContact C-N 3.31Å; E136-K138 PolarHBondContact O-N 3.06Å; K138-S140 PolarHBondContact O-N 3.34Å
139	Y	48.5	Very low	49	Very low	126 Å²	126	131.6 Å²	131.6	49%	0.494	62%	0.621	S	S	.	*			trans	-60.4	112.2	159.1	-66.2	-87.7	0	0	0	104.8	K137 K141	K137-Y139 VanDerWaalsContact C-N 3.3Å; K137-Y139 HydrophobicContact CB-CE2 4.44Å; K137-Y139 WeakPolarHBondContact O-CD2 3.3Å; K137-Y139 PolarHBondContact O-N 2.97Å; Y139-K141 VanDerWaalsContact C-N 3.27Å; Y139-K141 PolarHBondContact O-N 3.28Å
140	S	39.8	Very low	49.5	Very low	94 Å²	94	130.5 Å²	130.5	66%	0.657	62%	0.623	S	S	*	*			trans	-61.2	105	164.4	50.6	0	0	0	0	104.7	K138 K142	K138-S140 PolarHBondContact O-N 3.34Å; S140-K142 PolarHBondContact O-N 3.24Å
141	K	47.1	Very low	50.7	Low	174 Å²	174	134.2 Å²	134.2	76%	0.757	64%	0.642	S	S	*	*			trans	-67.1	69.3	167.1	-171.2	-174.8	-178.8	-175.8	0	106.1	Y139 I143	Y139-K141 VanDerWaalsContact C-N 3.27Å; Y139-K141 PolarHBondContact O-N 3.28Å; K141-I143 HydrophobicContact CD-CG1 4.42Å; K141-I143 HydrophobicContact CG-CG1 4.08Å; K141-I143 PolarHBondContact O-N 3.37Å
142	K	44.5	Very low	50.9	Low	166 Å²	166	128.6 Å²	128.6	72%	0.722	63%	0.632	S	S	*	*			trans	-70.9	98.2	161.1	-69.8	-166.4	176.5	-169.4	0	102.8	S140 V144	S140-K142 PolarHBondContact O-N 3.24Å; K142-V144 VanDerWaalsContact C-N 3.34Å; K142-V144 WeakPolarHBondContact O-CG2 3Å; K142-V144 PolarHBondContact O-N 2.94Å
143	I	47.4	Very low	51.2	Low	118 Å²	118	125.5 Å²	125.5	61%	0.605	62%	0.62	S	S	*	*			trans	-58.4	108.2	169.5	-54.3	172.1	0	0	0	103.6	K141 D145	K141-I143 HydrophobicContact CD-CG1 4.42Å; K141-I143 HydrophobicContact CG-CG1 4.08Å; K141-I143 PolarHBondContact O-N 3.37Å; I143-D145 VanDerWaalsContact CG2-OD1 3.31Å; I143-D145 WeakPolarHBondContact CG2-OD1 3.31Å; I143-D145 PolarHBondContact O-N 3.18Å
144	V	47.2	Very low	51.4	Low	62 Å²	62	118.6 Å²	118.6	38%	0.376	60%	0.599	S	S	.	*			trans	-91.2	93.7	178.7	174.6	0	0	0	0	105.1	K142 N146 Y160	K142-V144 VanDerWaalsContact C-N 3.34Å; K142-V144 WeakPolarHBondContact O-CG2 3Å; K142-V144 PolarHBondContact O-N 2.94Å; V144-N146 PolarHBondContact O-N 3.23Å; V144-Y160 HydrophobicContact CB-CE2 4.5Å; V144-Y160 WeakPolarHBondContact CB-OH 3.25Å; V144-Y160 HydrophobicContact CG1-CE2 4.37Å; V144-Y160 WeakPolarHBondContact CG2-OH 3.16Å
145	D	51.4	Low	52.1	Low	128 Å²	128	122 Å²	122	68%	0.684	61%	0.608	S	S	*	*			trans	-78.2	113.2	175.2	-70.9	-27.1	0	0	0	108.1	I143 Q147	I143-D145 VanDerWaalsContact CG2-OD1 3.31Å; I143-D145 WeakPolarHBondContact CG2-OD1 3.31Å; I143-D145 PolarHBondContact O-N 3.18Å; D145-Q147 PolarHBondContact O-N 3.25Å
146	N	59.5	Low	52.5	Low	84 Å²	84	116.7 Å²	116.7	45%	0.449	59%	0.586	S	S	.	*			trans	-63.6	122	166.2	-71.5	-20.2	0	0	0	107.5	V144 F148 L154	V144-N146 PolarHBondContact O-N 3.23Å; N146-F148 HydrophobicContact CB-CD2 4.47Å; N146-F148 HydrophobicContact CB-CE2 3.68Å; N146-F148 HydrophobicContact CB-CZ 3.78Å; N146-F148 WeakPolarHBondContact O-CD2 3.47Å; N146-F148 WeakPolarHBondContact O-CE2 3.47Å; N146-L154 HydrophobicContact CB-CD1 3.81Å
147	Q	55	Low	53	Low	123 Å²	123	116.7 Å²	116.7	58%	0.575	59%	0.586	S	S	*	*			trans	-85.2	123.4	174.1	-67.6	-174.1	-12.5	0	0	108.9	D145 I155	D145-Q147 PolarHBondContact O-N 3.25Å; Q147-I155 HydrophobicContact CB-CB 4.47Å; Q147-I155 HydrophobicContact CB-CD1 4.46Å; Q147-I155 PolarHBondContact O-N 3.04Å
148	F	56.6	Low	53.1	Low	125 Å²	125	117.5 Å²	117.5	55%	0.548	59%	0.585	S	S	.	*	B	Isolated β-bridge	trans	-107	145.8	174.6	-59.1	-85.6	0	0	0	109.1	N146 G153 L154	N146-F148 HydrophobicContact CB-CD2 4.47Å; N146-F148 HydrophobicContact CB-CE2 3.68Å; N146-F148 HydrophobicContact CB-CZ 3.78Å; N146-F148 WeakPolarHBondContact O-CD2 3.47Å; N146-F148 WeakPolarHBondContact O-CE2 3.47Å; F148-G153 CarbonylContact C-O 3.55Å; F148-G153 VanDerWaalsContact CA-O 3.25Å; F148-G153 WeakPolarHBondContact CA-O 3.44Å; F148-L154 HydrophobicContact CD1-CD1 4.17Å; F148-L154 HydrophobicContact CE1-CD1 3.81Å; F148-L154 HydrophobicContact CZ-CD1 4.23Å
149	D	58.4	Low	53.2	Low	67 Å²	67	116.5 Å²	116.5	36%	0.358	58%	0.581	S	S	.	*			trans	-74.2	172.4	167.5	91.8	-15.7	0	0	0	110.5	Q151 G152 G153 I155	D149-Q151 PolarHBondContact O-N 3.14Å; D149-Q151 WeakPolarHBondContact OD1-CA 3.34Å; D149-Q151 VanDerWaalsContact OD1-CB 3.28Å; D149-Q151 WeakPolarHBondContact OD1-CB 3.46Å; D149-Q151 PolarHBondContact OD1-N 3.07Å; D149-G152 PolarHBondContact O-N 2.72Å; D149-G152 PolarHBondContact OD1-N 3.18Å; D149-G153 PolarHBondContact N-O 3.23Å; D149-G153 PolarHBondContact OD1-N 3.24Å; D149-I155 HydrophobicContact CB-CD1 3.99Å; D149-I155 HydrophobicContact CB-CG1 3.96Å
150	I	65.9	Low	53.2	Low	178 Å²	178	118.2 Å²	118.2	91%	0.913	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-21.2	177.7	9.2	170.4	0	0	0	113.5	G152	I150-G152 VanDerWaalsContact C-N 3.34Å
151	Q	75.4	Confident	53.6	Low	170 Å²	170	123.4 Å²	123.4	79%	0.794	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-0.4	174.9	-55.9	-65.1	-19.8	0	0	112.4	D149	D149-Q151 PolarHBondContact O-N 3.14Å; D149-Q151 WeakPolarHBondContact OD1-CA 3.34Å; D149-Q151 VanDerWaalsContact OD1-CB 3.28Å; D149-Q151 WeakPolarHBondContact OD1-CB 3.46Å; D149-Q151 PolarHBondContact OD1-N 3.07Å
152	G	50.9	Low	53.5	Low	52 Å²	52	124.8 Å²	124.8	54%	0.536	60%	0.599	S	S	.	*	S	Bend	trans	80.8	10	-176.6	0	0	0	0	0	114.7	D149 I150	D149-G152 PolarHBondContact O-N 2.72Å; D149-G152 PolarHBondContact OD1-N 3.18Å; I150-G152 VanDerWaalsContact C-N 3.34Å
153	G	53.1	Low	53.7	Low	34 Å²	34	123 Å²	123	35%	0.351	60%	0.601	S	S	.	*			trans	-71.8	137.2	173.2	0	0	0	0	0	111.5	F148 D149 I155	F148-G153 CarbonylContact C-O 3.55Å; F148-G153 VanDerWaalsContact CA-O 3.25Å; F148-G153 WeakPolarHBondContact CA-O 3.44Å; D149-G153 PolarHBondContact N-O 3.23Å; D149-G153 PolarHBondContact OD1-N 3.24Å; G153-I155 PolarHBondContact O-N 2.99Å
154	L	49.7	Very low	53.5	Low	78 Å²	78	119.8 Å²	119.8	41%	0.408	60%	0.598	S	S	.	*	B	Isolated β-bridge	trans	-75.1	115.1	177.8	-174.8	67.3	0	0	0	109.7	N146 F148 E157	N146-L154 HydrophobicContact CB-CD1 3.81Å; F148-L154 HydrophobicContact CD1-CD1 4.17Å; F148-L154 HydrophobicContact CE1-CD1 3.81Å; F148-L154 HydrophobicContact CZ-CD1 4.23Å; L154-E157 HydrophobicContact CD2-CB 3.58Å; L154-E157 HydrophobicContact CD2-CG 3.88Å; L154-E157 HydrophobicContact CG-CB 4.43Å
155	I	58.4	Low	53.2	Low	108 Å²	108	123.2 Å²	123.2	55%	0.554	61%	0.614	S	S	*	*	S	Bend	trans	-76	-38.3	-176	-61	169.5	0	0	0	111	Q147 D149 G153	Q147-I155 HydrophobicContact CB-CB 4.47Å; Q147-I155 HydrophobicContact CB-CD1 4.46Å; Q147-I155 PolarHBondContact O-N 3.04Å; D149-I155 HydrophobicContact CB-CD1 3.99Å; D149-I155 HydrophobicContact CB-CG1 3.96Å; G153-I155 PolarHBondContact O-N 2.99Å
156	E	52.4	Low	52.6	Low	93 Å²	93	126 Å²	126	44%	0.435	62%	0.616	S	S	.	*			trans	-148.5	108.9	-179.4	-165.3	-173.2	161.5	0	0	110.9	R158	E156-R158 HydrophobicContact CG-CG 4.35Å; E156-R158 PolarHBondContact O-N 2.75Å; E156-R158 IonicContact OE1-CZ 3.32Å; E156-R158 IonicContact OE1-NE 3.33Å; E156-R158 PolarHBondContact OE1-NE 2.98Å; E156-R158 IonicContact OE1-NH2 2.77Å; E156-R158 PolarHBondContact OE1-NH2 3.39Å; E156-R158 IonicContact OE2-NE 3.27Å; E156-R158 IonicContact OE2-NH2 3.86Å; E156-R158 PolarHBondContact OE2-NH2 3.1Å
157	E	56.5	Low	51.7	Low	132 Å²	132	129.8 Å²	129.8	62%	0.617	63%	0.631	S	S	*	*			trans	-84.7	100.8	171	-166.3	-173.3	177.4	0	0	110	L154 K159	L154-E157 HydrophobicContact CD2-CB 3.58Å; L154-E157 HydrophobicContact CD2-CG 3.88Å; L154-E157 HydrophobicContact CG-CB 4.43Å; E157-K159 VanDerWaalsContact C-N 3.33Å; E157-K159 PolarHBondContact O-N 2.89Å
158	R	51.9	Low	51.2	Low	164 Å²	164	127.6 Å²	127.6	62%	0.619	63%	0.634	S	S	*	*			trans	-79.4	87.7	170.1	-69.4	-166.3	177.8	175.7	8.5	109.9	E156 Y160	E156-R158 HydrophobicContact CG-CG 4.35Å; E156-R158 PolarHBondContact O-N 2.75Å; E156-R158 IonicContact OE1-CZ 3.32Å; E156-R158 IonicContact OE1-NE 3.33Å; E156-R158 PolarHBondContact OE1-NE 2.98Å; E156-R158 IonicContact OE1-NH2 2.77Å; E156-R158 PolarHBondContact OE1-NH2 3.39Å; E156-R158 IonicContact OE2-NE 3.27Å; E156-R158 IonicContact OE2-NH2 3.86Å; E156-R158 PolarHBondContact OE2-NH2 3.1Å; R158-Y160 PolarHBondContact O-N 2.96Å
159	K	48.5	Very low	50.6	Low	171 Å²	171	128.5 Å²	128.5	74%	0.743	65%	0.645	S	S	*	*			trans	-44.9	104.9	175.2	-68.2	-179.4	-179.8	179	0	111	E157 K161	E157-K159 VanDerWaalsContact C-N 3.33Å; E157-K159 PolarHBondContact O-N 2.89Å; K159-K161 PolarHBondContact O-N 3.07Å
160	Y	48.4	Very low	49.9	Very low	162 Å²	162	128 Å²	128	64%	0.635	66%	0.656	S	S	*	*			trans	-63.3	124.6	157.3	-75.7	-83.5	0	0	0	107.1	V144 R158 R162	V144-Y160 HydrophobicContact CB-CE2 4.5Å; V144-Y160 WeakPolarHBondContact CB-OH 3.25Å; V144-Y160 HydrophobicContact CG1-CE2 4.37Å; V144-Y160 WeakPolarHBondContact CG2-OH 3.16Å; R158-Y160 PolarHBondContact O-N 2.96Å; Y160-R162 PolarHBondContact O-N 3.26Å
161	K	48.7	Very low	48.7	Very low	203 Å²	203	126.3 Å²	126.3	88%	0.883	65%	0.654	S	S	*	*			trans	-51.2	108.7	162.1	-70.9	-175	177.5	-175.3	0	105.9	K159 T163	K159-K161 PolarHBondContact O-N 3.07Å; K161-T163 PolarHBondContact O-N 3.08Å; K161-T163 VanDerWaalsContact O-N 3.11Å
162	R	44	Very low	47.1	Very low	203 Å²	203	124.3 Å²	124.3	77%	0.766	64%	0.644	S	S	*	*			trans	-15.3	108.6	178.8	-76	168	123.3	155.8	-1.5	111.1	Y160 G164	Y160-R162 PolarHBondContact O-N 3.26Å; R162-G164 PolarHBondContact O-N 3.25Å
163	T	49.3	Very low	46.8	Very low	127 Å²	127	124.7 Å²	124.7	78%	0.779	64%	0.642	S	S	*	*			trans	-59.8	90.9	157.5	-43.1	0	0	0	0	104	K161 D165	K161-T163 PolarHBondContact O-N 3.08Å; K161-T163 VanDerWaalsContact O-N 3.11Å; T163-D165 PolarHBondContact O-N 2.63Å
164	G	43.3	Very low	46.1	Very low	52 Å²	52	132.5 Å²	132.5	54%	0.536	66%	0.663	S	S	.	*			trans	-46.6	130.8	-164	0	0	0	0	0	110.1	R162 Y166	R162-G164 PolarHBondContact O-N 3.25Å; G164-Y166 PolarHBondContact O-N 3.11Å
165	D	39.1	Very low	45.9	Very low	134 Å²	134	134.3 Å²	134.3	72%	0.717	67%	0.672	S	S	*	*			trans	-57.3	70.1	-177.8	-31.2	-27.2	0	0	0	109.3	T163	T163-D165 PolarHBondContact O-N 2.63Å
166	Y	40.5	Very low	45.4	Very low	185 Å²	185	138 Å²	138	73%	0.725	69%	0.687	S	S	*	*			trans	-100.2	94.7	-177.9	-170.2	-95.5	0	0	0	107.6	G164 A168	G164-Y166 PolarHBondContact O-N 3.11Å; Y166-A168 HydrophobicContact CD1-CB 4.14Å; Y166-A168 HydrophobicContact CE1-CB 4.18Å; Y166-A168 PolarHBondContact O-N 2.87Å
167	Q	39.8	Very low	45.4	Very low	164 Å²	164	139 Å²	139	77%	0.766	70%	0.698	S	S	*	*			trans	-64.5	98.5	171.3	-170.5	174.3	-9.8	0	0	108.8
168	A	45.2	Very low	44.8	Very low	77 Å²	77	135.6 Å²	135.6	64%	0.636	70%	0.699	S	S	*	*			trans	-88.8	107.3	175.9	0	0	0	0	0	109.5	Y166 G170	Y166-A168 HydrophobicContact CD1-CB 4.14Å; Y166-A168 HydrophobicContact CE1-CB 4.18Å; Y166-A168 PolarHBondContact O-N 2.87Å; A168-G170 PolarHBondContact O-N 3.31Å
169	N	43.3	Very low	44.5	Very low	144 Å²	144	132 Å²	132	77%	0.77	70%	0.704	S	S	*	*			trans	-78.3	102	172.3	-62.7	-27.2	0	0	0	108.6
170	G	43.7	Very low	44.5	Very low	58 Å²	58	130.7 Å²	130.7	60%	0.598	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-94.1	132.2	172.8	0	0	0	0	0	111.2	A168	A168-G170 PolarHBondContact O-N 3.31Å
171	T	41.7	Very low	44.3	Very low	141 Å²	141	131.5 Å²	131.5	87%	0.865	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-93.2	121.3	169	35.5	0	0	0	0	109.2
172	H	40.7	Very low	44.1	Very low	128 Å²	128	130.1 Å²	130.1	59%	0.593	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-103	135.1	175.7	-64.1	-96.8	0	0	0	109.2	Y174	H172-Y174 HydrophobicContact CB-CE2 4.22Å
173	A	44.6	Very low	44	Very low	60 Å²	60	124.4 Å²	124.4	50%	0.496	70%	0.703	S	S	.	*			trans	-113.9	127.2	171.6	0	0	0	0	0	108.6
174	Y	38.7	Very low	43.6	Very low	199 Å²	199	123.2 Å²	123.2	78%	0.78	70%	0.7	S	S	*	*			trans	-100.4	130.7	175.7	-63.9	-85.8	0	0	0	108.9	H172	H172-Y174 HydrophobicContact CB-CE2 4.22Å
175	I	46.4	Very low	43.4	Very low	115 Å²	115	128 Å²	128	59%	0.59	71%	0.712	S	S	*	*			trans	-109	109.6	174.1	-55.4	175.4	0	0	0	107.1	V177	I175-V177 HydrophobicContact CG2-CG2 4.39Å; I175-V177 PolarHBondContact O-N 3.4Å
176	Q	47	Very low	43.3	Very low	187 Å²	187	128.9 Å²	128.9	87%	0.874	72%	0.717	S	S	*	*			trans	-86.7	106.7	174.2	-164.3	170.3	26.6	0	0	108.7	G178	Q176-G178 PolarHBondContact O-N 2.97Å
177	V	53.3	Low	43.3	Very low	112 Å²	112	125 Å²	125	68%	0.679	71%	0.713	S	S	*	*			trans	-86.9	87.8	177.8	-150	0	0	0	0	107.7	I175 A179	I175-V177 HydrophobicContact CG2-CG2 4.39Å; I175-V177 PolarHBondContact O-N 3.4Å; V177-A179 PolarHBondContact O-N 3.28Å
178	G	42.3	Very low	43.2	Very low	61 Å²	61	128.2 Å²	128.2	63%	0.629	72%	0.718	S	S	*	*			trans	-70	114.1	168	0	0	0	0	0	108.9	Q176 E180	Q176-G178 PolarHBondContact O-N 2.97Å; G178-E180 PolarHBondContact O-N 2.77Å; G178-E180 VanDerWaalsContact O-N 3.09Å
179	A	47.1	Very low	42.7	Very low	88 Å²	88	129.1 Å²	129.1	73%	0.727	73%	0.725	S	S	*	*			trans	-70.9	99.8	164.2	0	0	0	0	0	106.9	V177 H181	V177-A179 PolarHBondContact O-N 3.28Å; A179-H181 VanDerWaalsContact C-N 3.27Å; A179-H181 PolarHBondContact O-N 3.23Å
180	E	48.4	Very low	42.6	Very low	144 Å²	144	129.1 Å²	129.1	67%	0.673	73%	0.725	S	S	*	*			trans	-59.3	98.7	164.7	-72.6	-176.9	177.3	0	0	106.5	G178 H182	G178-E180 PolarHBondContact O-N 2.77Å; G178-E180 VanDerWaalsContact O-N 3.09Å; E180-H182 VanDerWaalsContact C-N 3.32Å; E180-H182 PolarHBondContact O-N 3.09Å
181	H	42.7	Very low	42.2	Very low	180 Å²	180	134.3 Å²	134.3	83%	0.833	74%	0.739	S	S	*	*			trans	-59.7	101.4	166.8	-110.8	-90.2	0	0	0	105.8	A179 A183	A179-H181 VanDerWaalsContact C-N 3.27Å; A179-H181 PolarHBondContact O-N 3.23Å; H181-A183 PolarHBondContact O-N 3.36Å
182	H	46	Very low	42.2	Very low	173 Å²	173	132.5 Å²	132.5	80%	0.801	73%	0.732	S	S	*	*			trans	-63.6	82.2	164.6	-79.5	-87.3	0	0	0	107.3	E180 S184	E180-H182 VanDerWaalsContact C-N 3.32Å; E180-H182 PolarHBondContact O-N 3.09Å; H182-S184 PolarHBondContact O-N 3Å; H182-S184 VanDerWaalsContact O-N 3.08Å
183	A	41.4	Very low	41.9	Very low	83 Å²	83	136 Å²	136	69%	0.686	75%	0.749	S	S	*	*			trans	-62.2	111.4	163.9	0	0	0	0	0	106.1	H181 L185	H181-A183 PolarHBondContact O-N 3.36Å; A183-L185 VanDerWaalsContact C-N 3.32Å; A183-L185 PolarHBondContact O-N 2.95Å
184	S	40.6	Very low	41.7	Very low	103 Å²	103	137.9 Å²	137.9	72%	0.72	76%	0.758	S	S	*	*			trans	-52.6	86.5	176.8	51.7	0	0	0	0	111.3	H182 N186	H182-S184 PolarHBondContact O-N 3Å; H182-S184 VanDerWaalsContact O-N 3.08Å; S184-N186 VanDerWaalsContact C-N 3.34Å; S184-N186 PolarHBondContact O-N 3.03Å
185	L	38.6	Very low	41.7	Very low	151 Å²	151	137.7 Å²	137.7	79%	0.791	76%	0.762	S	S	*	*			trans	-90.1	80.5	167.8	-131.9	79.7	0	0	0	108.6	A183 T187	A183-L185 VanDerWaalsContact C-N 3.32Å; A183-L185 PolarHBondContact O-N 2.95Å; L185-T187 VanDerWaalsContact C-N 3.33Å; L185-T187 PolarHBondContact O-N 2.84Å
186	N	37.8	Very low	41.2	Very low	154 Å²	154	140 Å²	140	82%	0.824	77%	0.77	S	S	*	*			trans	-60.9	92	163.1	-78.4	-25.2	0	0	0	109	S184	S184-N186 VanDerWaalsContact C-N 3.34Å; S184-N186 PolarHBondContact O-N 3.03Å
187	T	40	Very low	40.9	Very low	104 Å²	104	135.4 Å²	135.4	64%	0.638	76%	0.758	S	S	*	*			trans	-143.3	101.5	164.2	36.9	0	0	0	0	111.5	L185	L185-T187 VanDerWaalsContact C-N 3.33Å; L185-T187 PolarHBondContact O-N 2.84Å
188	R	37.6	Very low	40.3	Very low	231 Å²	231	136.8 Å²	136.8	87%	0.872	76%	0.757	S	S	*	*			trans	59.5	97.1	145.6	-61.6	180	-179.1	176.6	0	116.8	N190	R188-N190 PolarHBondContact O-N 2.93Å
189	A	34	Very low	40.3	Very low	96 Å²	96	142.5 Å²	142.5	79%	0.793	77%	0.765	S	S	*	*			trans	-52	98	157.7	0	0	0	0	0	110.6
190	N	41.3	Very low	40.1	Very low	143 Å²	143	145.1 Å²	145.1	77%	0.765	77%	0.766	S	S	*	*			trans	-104.4	108.3	159.5	-75.8	-17.7	0	0	0	107	R188 S192	R188-N190 PolarHBondContact O-N 2.93Å; N190-S192 PolarHBondContact O-N 2.98Å; N190-S192 VanDerWaalsContact O-N 3.07Å
191	N	36.4	Very low	39.8	Very low	168 Å²	168	145.9 Å²	145.9	90%	0.898	77%	0.767	S	S	*	*			trans	-57	104.4	172.1	-67.9	-37.1	0	0	0	109.4
192	S	40.4	Very low	39.5	Very low	102 Å²	102	145.2 Å²	145.2	71%	0.713	77%	0.765	S	S	*	*			trans	-141.2	102.7	159.6	63.8	0	0	0	0	109	N190 S194	N190-S192 PolarHBondContact O-N 2.98Å; N190-S192 VanDerWaalsContact O-N 3.07Å; S192-S194 PolarHBondContact O-N 3.41Å
193	E	35.3	Very low	39.2	Very low	201 Å²	201	146.2 Å²	146.2	94%	0.939	77%	0.767	S	S	*	*			trans	-48.3	113.7	163.1	-65.8	167.2	149.2	0	0	109.9
194	S	40.7	Very low	39.1	Very low	100 Å²	100	148.9 Å²	148.9	70%	0.699	77%	0.77	S	S	*	*			trans	-166.8	123.8	145.6	54.7	0	0	0	0	113	S192	S192-S194 PolarHBondContact O-N 3.41Å
195	K	37.8	Very low	38.8	Very low	196 Å²	196	152.1 Å²	152.1	85%	0.852	77%	0.771	S	S	*	*			trans	59.1	87.8	140.8	-60.9	179.3	-178.2	178.4	0	116.7	S197	K195-S197 VanDerWaalsContact C-N 3.32Å; K195-S197 PolarHBondContact O-N 3.32Å
196	H	36	Very low	38.9	Very low	164 Å²	164	151.8 Å²	151.8	76%	0.759	77%	0.77	S	S	*	*			trans	-2.4	77.9	134.1	-167.1	71.5	0	0	0	114.9
197	S	40.4	Very low	38.7	Very low	90 Å²	90	150.1 Å²	150.1	63%	0.629	76%	0.761	S	S	*	*			trans	-101	90.4	167	178.2	0	0	0	0	106.1	K195 K199	K195-S197 VanDerWaalsContact C-N 3.32Å; K195-S197 PolarHBondContact O-N 3.32Å; S197-K199 PolarHBondContact O-N 3.01Å
198	Q	42.1	Very low	38.7	Very low	141 Å²	141	151.6 Å²	151.6	66%	0.659	77%	0.765	S	S	*	*			trans	-62.7	79.5	162.7	-77.9	179.2	-47.1	0	0	108.1	N200	Q198-N200 PolarHBondContact O-N 3.2Å
199	K	42.1	Very low	38.8	Very low	181 Å²	181	146.2 Å²	146.2	79%	0.787	75%	0.753	S	S	*	*			trans	-70.8	86.9	160.7	-82	-176	177.6	179.5	0	106.6	S197 K201	S197-K199 PolarHBondContact O-N 3.01Å; K199-K201 VanDerWaalsContact C-N 3.27Å; K199-K201 PolarHBondContact O-N 2.93Å
200	N	42.2	Very low	39.1	Very low	142 Å²	142	148.9 Å²	148.9	76%	0.759	75%	0.754	S	S	*	*			trans	-53.2	98.8	158.8	-78.3	-24.1	0	0	0	106.5	Q198 Q202	Q198-N200 PolarHBondContact O-N 3.2Å; N200-Q202 VanDerWaalsContact C-N 3.34Å; N200-Q202 PolarHBondContact O-N 2.79Å
201	K	42.1	Very low	39.2	Very low	160 Å²	160	147 Å²	147	70%	0.696	75%	0.748	S	S	*	*			trans	-62.9	100.7	172.5	-85.3	-177.8	174.4	-176.5	0	106.6	K199 F203	K199-K201 VanDerWaalsContact C-N 3.27Å; K199-K201 PolarHBondContact O-N 2.93Å; K201-F203 PolarHBondContact O-N 3.27Å
202	Q	36.8	Very low	39.4	Very low	167 Å²	167	145.2 Å²	145.2	78%	0.78	74%	0.743	S	S	*	*			trans	-62.4	113.8	173.7	-175.3	167.4	-14.4	0	0	107.5	N200 D204	N200-Q202 VanDerWaalsContact C-N 3.34Å; N200-Q202 PolarHBondContact O-N 2.79Å; Q202-D204 PolarHBondContact O-N 3.35Å
203	F	40.7	Very low	39.5	Very low	194 Å²	194	147 Å²	147	85%	0.851	75%	0.745	S	S	*	*			trans	-77.1	106.9	172.8	-89.4	-92.1	0	0	0	107.9	K201 F205	K201-F203 PolarHBondContact O-N 3.27Å; F203-F205 PolarHBondContact O-N 2.93Å
204	D	39.2	Very low	39.7	Very low	138 Å²	138	147.1 Å²	147.1	74%	0.738	74%	0.742	S	S	*	*			trans	-72.4	110.6	175.8	-78	-30.8	0	0	0	110.2	Q202 N206	Q202-D204 PolarHBondContact O-N 3.35Å; D204-N206 PolarHBondContact O-N 3.39Å
205	F	34.1	Very low	39.5	Very low	171 Å²	171	153.1 Å²	153.1	75%	0.75	75%	0.749	S	S	*	*			trans	-88.5	91.8	178.4	-137.6	-88.1	0	0	0	108.6	F203 L207	F203-F205 PolarHBondContact O-N 2.93Å; F205-L207 PolarHBondContact O-N 3.07Å
206	N	39.2	Very low	39.8	Very low	144 Å²	144	151.3 Å²	151.3	77%	0.77	75%	0.748	S	S	*	*			trans	-82	100.5	179.2	-119	-21.9	0	0	0	110.5	D204 N208	D204-N206 PolarHBondContact O-N 3.39Å; N206-N208 PolarHBondContact O-N 3.3Å
207	L	34.7	Very low	40.4	Very low	120 Å²	120	149.8 Å²	149.8	63%	0.628	75%	0.745	S	S	*	*			trans	-89.4	88.9	178.4	-162.3	83.2	0	0	0	109.6	F205 N209	F205-L207 PolarHBondContact O-N 3.07Å; L207-N209 PolarHBondContact O-N 3.38Å
208	N	40.3	Very low	40.5	Very low	134 Å²	134	153.4 Å²	153.4	72%	0.717	76%	0.757	S	S	*	*			trans	-75.7	96.7	176	-78.1	-11.6	0	0	0	110.7	N206 N210	N206-N208 PolarHBondContact O-N 3.3Å; N208-N210 PolarHBondContact O-N 2.99Å
209	N	39.5	Very low	40.4	Very low	118 Å²	118	158 Å²	158	63%	0.631	77%	0.768	S	S	*	*			trans	-78	91.1	168.2	-69.5	-27.2	0	0	0	109.1	L207 V211	L207-N209 PolarHBondContact O-N 3.38Å; N209-V211 HydrophobicContact CB-CG2 4.34Å; N209-V211 PolarHBondContact O-N 3.22Å
210	N	40.6	Very low	40.2	Very low	153 Å²	153	162.1 Å²	162.1	82%	0.818	79%	0.79	S	S	*	*			trans	-71.8	82	167.5	-88.8	-20.5	0	0	0	109.6	N208 T212	N208-N210 PolarHBondContact O-N 2.99Å; N210-T212 PolarHBondContact O-N 2.74Å
211	V	42.2	Very low	40.1	Very low	103 Å²	103	163.2 Å²	163.2	62%	0.624	79%	0.792	S	S	*	*			trans	-82.9	89.6	167.9	-176.2	0	0	0	0	107.3	N209 N213	N209-V211 HydrophobicContact CB-CG2 4.34Å; N209-V211 PolarHBondContact O-N 3.22Å; V211-N213 VanDerWaalsContact C-N 3.32Å; V211-N213 WeakPolarHBondContact CG1-OD1 3.28Å; V211-N213 PolarHBondContact O-N 2.76Å
212	T	41.9	Very low	40	Very low	130 Å²	130	163.3 Å²	163.3	80%	0.798	80%	0.797	S	S	*	*			trans	-72	90	170.6	48	0	0	0	0	109.2	N210 K214	N210-T212 PolarHBondContact O-N 2.74Å; T212-K214 PolarHBondContact O-N 2.96Å
213	N	40.9	Very low	40.2	Very low	141 Å²	141	163.1 Å²	163.1	75%	0.754	80%	0.798	S	S	*	*			trans	-68.8	93.9	167.7	-72.2	-34.3	0	0	0	108.7	V211 R215	V211-N213 VanDerWaalsContact C-N 3.32Å; V211-N213 WeakPolarHBondContact CG1-OD1 3.28Å; V211-N213 PolarHBondContact O-N 2.76Å; N213-R215 PolarHBondContact O-N 3.06Å
214	K	40.1	Very low	40.2	Very low	202 Å²	202	161.3 Å²	161.3	88%	0.878	80%	0.795	S	S	*	*			trans	-71.4	94.3	170.1	-130.3	-178.7	-176.1	-177.2	0	107.7	T212 L216	T212-K214 PolarHBondContact O-N 2.96Å; K214-L216 PolarHBondContact O-N 2.83Å
215	R	36.9	Very low	40.2	Very low	226 Å²	226	162.8 Å²	162.8	85%	0.853	80%	0.799	S	S	*	*			trans	-63.6	111.6	166.4	-97.5	-178.2	172.2	171.1	-3.1	107.8	N213 D217	N213-R215 PolarHBondContact O-N 3.06Å; R215-D217 PolarHBondContact O-N 3.06Å
216	L	44.5	Very low	40.6	Very low	158 Å²	158	162.2 Å²	162.2	83%	0.827	80%	0.802	S	S	*	*			trans	-77.5	96.9	163.6	-87.9	150.8	0	0	0	106.6	K214 L218	K214-L216 PolarHBondContact O-N 2.83Å; L216-L218 PolarHBondContact O-N 3.39Å
217	D	48.6	Very low	40.7	Very low	132 Å²	132	163.5 Å²	163.5	71%	0.706	80%	0.804	S	S	*	*			trans	-70.1	97.5	167.9	-73.3	-26.1	0	0	0	107.9	R215 R219	R215-D217 PolarHBondContact O-N 3.06Å; D217-R219 VanDerWaalsContact C-N 3.3Å; D217-R219 PolarHBondContact O-N 3.21Å
218	L	42	Very low	41.2	Very low	167 Å²	167	166.8 Å²	166.8	87%	0.874	82%	0.818	S	S	*	*			trans	-70.2	92	161.7	-74.6	107	0	0	0	107.3	L216	L216-L218 PolarHBondContact O-N 3.39Å
219	R	40.8	Very low	41.3	Very low	236 Å²	236	169.6 Å²	169.6	89%	0.891	83%	0.826	S	S	*	*			trans	-83.2	125.8	161.6	-82.1	-170.7	174.9	-169.3	-1.2	108.8	D217	D217-R219 VanDerWaalsContact C-N 3.3Å; D217-R219 PolarHBondContact O-N 3.21Å
220	Q	37.2	Very low	41.4	Very low	269 Å²	269	174.3 Å²	174.3	100%	1.257	84%	0.844	S	S	*	*			trans	-29.1	0	172.1	-65.3	171.2	-19.1	0	0	115.9

Retrieved 220 of 220 residues in 45.2 ms (Link to these results)

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