A0A913KUT4_SCHMA Loading...

RRM domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A913KUT4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 214 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	51.9	Low	56.3	Low	230 Å²	230	134.2 Å²	134.2	100%	1.133	76%	0.76	S	S	*	*				0	90.8	0	-72.7	142.5	171.4	0	0	104.8
2	S	46.5	Very low	55.7	Low	92 Å²	92	137.4 Å²	137.4	64%	0.643	76%	0.76	S	S	*	*				53.1	116.8	63.1	91.3	0	0	0	0	107.5
3	D	57.4	Low	55.2	Low	123 Å²	123	138.5 Å²	138.5	66%	0.658	76%	0.755	S	S	*	*			cis	-174.4	148.1	45.4	-82.8	-53.2	0	0	0	109.7
4	Y	56.7	Low	54.7	Low	203 Å²	203	134.4 Å²	134.4	80%	0.796	76%	0.76	S	S	*	*				43.7	149.3	127.7	-74.2	-100.8	0	0	0	120.8
5	V	61.9	Low	54.1	Low	100 Å²	100	134.9 Å²	134.9	61%	0.606	76%	0.761	S	S	*	*			cis	169.7	152.6	-7.7	96.4	0	0	0	0	106.2
6	L	57.3	Low	53.6	Low	139 Å²	139	137.6 Å²	137.6	73%	0.728	77%	0.765	S	S	*	*			trans	56.4	157.8	151.4	-64.1	168.2	0	0	0	118.7
7	D	60.8	Low	52.9	Low	138 Å²	138	140.8 Å²	140.8	74%	0.738	77%	0.77	S	S	*	*			cis	-157.5	146.8	12.4	-101.7	-42.7	0	0	0	105.4
8	G	58.4	Low	52.7	Low	75 Å²	75	139 Å²	139	77%	0.773	76%	0.763	S	S	*	*				87.5	151.2	110	0	0	0	0	0	112.7
9	D	61.7	Low	52.1	Low	127 Å²	127	139 Å²	139	68%	0.679	76%	0.762	S	S	*	*			cis	-172.5	143.9	-0.4	-171.4	30.2	0	0	0	106.9
10	Q	54	Low	52.2	Low	171 Å²	171	140.3 Å²	140.3	80%	0.799	76%	0.762	S	S	*	*			trans	52.4	128.9	147.7	-78.8	165.2	57.3	0	0	125.4
11	G	53	Low	51.8	Low	78 Å²	78	142 Å²	142	80%	0.804	77%	0.771	S	S	*	*				104.1	145.4	126.9	0	0	0	0	0	115.9
12	F	49.3	Very low	51.9	Low	173 Å²	173	139.1 Å²	139.1	76%	0.759	76%	0.755	S	S	*	*			cis	-174.6	135.2	-6.9	178.1	-102.4	0	0	0	105.8
13	H	48.8	Very low	52.1	Low	152 Å²	152	143.4 Å²	143.4	70%	0.704	76%	0.762	S	S	*	*			trans	47.9	130	155.5	-77.6	32.9	0	0	0	122.2
14	G	48.5	Very low	51.5	Low	80 Å²	80	146.8 Å²	146.8	83%	0.825	77%	0.774	S	S	*	*			trans	-164.3	103.3	153.3	0	0	0	0	0	109.6
15	D	44.6	Very low	51.1	Low	143 Å²	143	143.1 Å²	143.1	77%	0.765	77%	0.768	S	S	*	*			trans	-61.6	163.5	-175.1	-117.3	-36.3	0	0	0	115.7
16	E	46.6	Very low	50.5	Low	177 Å²	177	146.8 Å²	146.8	83%	0.827	78%	0.784	S	S	*	*			trans	61.6	111.4	155.7	-74.1	-179.3	134.3	0	0	119.6
17	F	41.6	Very low	50	Low	193 Å²	193	142.8 Å²	142.8	85%	0.846	78%	0.777	S	S	*	*				-177.4	115.9	106.2	-156.9	-103.4	0	0	0	112.7
18	V	49.4	Very low	49.6	Very low	108 Å²	108	139.7 Å²	139.7	66%	0.655	76%	0.763	S	S	*	*			trans	3.5	141.9	145.5	-162.6	0	0	0	0	120
19	D	42.4	Very low	49.1	Very low	139 Å²	139	139.4 Å²	139.4	74%	0.743	75%	0.753	S	S	*	*			trans	93	101.2	150.4	-117.7	-8.2	0	0	0	118.8
20	E	53.6	Low	48.6	Very low	164 Å²	164	140 Å²	140	77%	0.766	76%	0.756	S	S	*	*				163.6	115.8	108.1	-87.9	179.7	177.9	0	0	108.2	E22	E20-E22 PolarHBondContact O-N 3.28Å
21	N	43.2	Very low	48.4	Very low	178 Å²	178	138.7 Å²	138.7	95%	0.952	75%	0.75	S	S	*	*			trans	-57	108	172.8	-96	-37.4	0	0	0	109.3	K23	N21-K23 PolarHBondContact O-N 3.43Å
22	E	53.7	Low	48.4	Very low	168 Å²	168	141 Å²	141	79%	0.785	74%	0.742	S	S	*	*			trans	-67.6	114.2	175.7	-64.7	-172.5	136	0	0	110.6	E20	E20-E22 PolarHBondContact O-N 3.28Å
23	K	52	Low	48.8	Very low	183 Å²	183	138.3 Å²	138.3	80%	0.796	73%	0.731	S	S	*	*			trans	59.2	93.5	131.4	-65.5	172	-176.3	156.9	0	117.4	N21 D25	N21-K23 PolarHBondContact O-N 3.43Å; K23-D25 PolarHBondContact O-N 3.28Å
24	E	43.4	Very low	49.3	Very low	193 Å²	193	137.5 Å²	137.5	90%	0.902	73%	0.726	S	S	*	*			trans	-28.4	115.1	135.1	-56.2	171.2	169.9	0	0	112.9
25	D	48.7	Very low	50.6	Low	127 Å²	127	138.1 Å²	138.1	68%	0.679	71%	0.71	S	S	*	*			trans	-169.2	28.2	147.6	-121.2	-15.5	0	0	0	116.5	K23 G27	K23-D25 PolarHBondContact O-N 3.28Å; D25-G27 PolarHBondContact O-N 3.2Å
26	D	49.8	Very low	52.2	Low	176 Å²	176	134.1 Å²	134.1	94%	0.941	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	14.3	178.3	-70.3	-41.6	0	0	0	114.3
27	G	47.5	Very low	53.6	Low	56 Å²	56	130.4 Å²	130.4	58%	0.577	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	-12.1	-176.6	0	0	0	0	0	116	D25	D25-G27 PolarHBondContact O-N 3.2Å
28	V	50.5	Low	55.3	Low	73 Å²	73	124.2 Å²	124.2	44%	0.442	66%	0.655	S	S	.	*	H	α-helix	trans	-93.2	-22.8	-171.5	-175.9	0	0	0	0	112.5	D30 M32	V28-D30 PolarHBondContact O-N 3.07Å; V28-M32 HydrophobicContact CG1-CG 4.18Å; V28-M32 HydrophobicContact CG1-SD 4.43Å; V28-M32 WeakPolarHBondContact O-CG 3.32Å; V28-M32 PolarHBondContact O-N 3.09Å; V28-M32 VanDerWaalsContact O-N 3.1Å
29	A	48.5	Very low	57	Low	69 Å²	69	125.8 Å²	125.8	57%	0.57	66%	0.655	S	S	*	*	H	α-helix	trans	-69.2	-34.4	-176.2	0	0	0	0	0	113.7	H33	A29-H33 PolarHBondContact O-N 3.03Å
30	D	51.5	Low	59.1	Low	139 Å²	139	121.9 Å²	121.9	74%	0.743	64%	0.642	S	S	*	*	H	α-helix	trans	-76.9	-33.9	179.6	-112.6	3.8	0	0	0	112.2	V28 H33 F34	V28-D30 PolarHBondContact O-N 3.07Å; D30-H33 PolarHBondContact O-N 3.38Å; D30-F34 PolarHBondContact O-N 2.82Å; D30-F34 VanDerWaalsContact O-N 3.11Å
31	E	50.2	Low	60.6	Low	144 Å²	144	119.3 Å²	119.3	67%	0.673	63%	0.633	S	S	*	*	H	α-helix	trans	-69.9	-40	172.4	-72.9	-152	158.9	0	0	111.8	H33 F34 D35	E31-H33 PolarHBondContact O-N 3.47Å; E31-F34 PolarHBondContact O-N 2.67Å; E31-D35 WeakPolarHBondContact O-CB 3.23Å; E31-D35 PolarHBondContact O-N 3.32Å
32	M	53.5	Low	62.7	Low	127 Å²	127	117 Å²	117	63%	0.626	61%	0.614	S	S	*	*	H	α-helix	trans	-63.3	-30.4	174	-71.4	-159.5	-55.2	0	0	112.8	V28 A36	V28-M32 HydrophobicContact CG1-CG 4.18Å; V28-M32 HydrophobicContact CG1-SD 4.43Å; V28-M32 WeakPolarHBondContact O-CG 3.32Å; V28-M32 PolarHBondContact O-N 3.09Å; V28-M32 VanDerWaalsContact O-N 3.1Å; M32-A36 VanDerWaalsContact O-CB 3.31Å; M32-A36 WeakPolarHBondContact O-CB 3.03Å; M32-A36 PolarHBondContact O-N 2.7Å; M32-A36 VanDerWaalsContact O-N 3.17Å
33	H	56.4	Low	64.5	Low	115 Å²	115	114.9 Å²	114.9	53%	0.532	60%	0.604	S	S	.	*	H	α-helix	trans	-72.9	-41.3	175.3	-162.5	-82	0	0	0	111.8	A29 D30 E31 E37	A29-H33 PolarHBondContact O-N 3.03Å; D30-H33 PolarHBondContact O-N 3.38Å; E31-H33 PolarHBondContact O-N 3.47Å; H33-E37 IonicContact CE1-OE1 3.37Å; H33-E37 PolarHBondContact CE1-OE1 2.76Å; H33-E37 IonicContact ND1-OE1 2.96Å; H33-E37 PolarHBondContact ND1-OE1 3.15Å; H33-E37 VanDerWaalsContact ND1-OE1 3.15Å; H33-E37 WeakPolarHBondContact O-CG 3.38Å; H33-E37 PolarHBondContact O-N 3.13Å; H33-E37 VanDerWaalsContact O-N 3.09Å
34	F	60	Low	66.1	Low	135 Å²	135	114.5 Å²	114.5	59%	0.592	60%	0.598	S	S	*	*	H	α-helix	trans	-67.9	-39.5	176.7	-169	-97.2	0	0	0	112.5	D30 E31 E37 L38	D30-F34 PolarHBondContact O-N 2.82Å; D30-F34 VanDerWaalsContact O-N 3.11Å; E31-F34 PolarHBondContact O-N 2.67Å; F34-E37 PolarHBondContact O-N 3.02Å; F34-L38 WeakPolarHBondContact O-CB 3.48Å; F34-L38 PolarHBondContact O-N 3.29Å
35	D	75.9	Confident	68.2	Low	93 Å²	93	111.1 Å²	111.1	50%	0.497	58%	0.58	S	S	.	*	H	α-helix	trans	-66.5	-40.1	177.2	-78.4	-17.8	0	0	0	112	E31 L38 E39	E31-D35 WeakPolarHBondContact O-CB 3.23Å; E31-D35 PolarHBondContact O-N 3.32Å; D35-L38 PolarHBondContact O-N 2.92Å; D35-E39 WeakPolarHBondContact O-CB 3.37Å; D35-E39 PolarHBondContact O-N 3.05Å
36	A	78.6	Confident	70.2	Confident	59 Å²	59	112.4 Å²	112.4	49%	0.488	58%	0.58	S	S	.	*	H	α-helix	trans	-64.4	-41	174.6	0	0	0	0	0	112.2	M32 E39 A40	M32-A36 VanDerWaalsContact O-CB 3.31Å; M32-A36 WeakPolarHBondContact O-CB 3.03Å; M32-A36 PolarHBondContact O-N 2.7Å; M32-A36 VanDerWaalsContact O-N 3.17Å; A36-E39 PolarHBondContact O-N 3.2Å; A36-A40 WeakPolarHBondContact O-CB 3.36Å; A36-A40 PolarHBondContact O-N 3.15Å
37	E	75.8	Confident	72	Confident	100 Å²	100	109.7 Å²	109.7	47%	0.467	56%	0.562	S	S	.	*	H	α-helix	trans	-64.9	-40.7	173.5	-75.1	-176.2	-173.6	0	0	112.1	H33 F34 E39 A40 I41	H33-E37 IonicContact CE1-OE1 3.37Å; H33-E37 PolarHBondContact CE1-OE1 2.76Å; H33-E37 IonicContact ND1-OE1 2.96Å; H33-E37 PolarHBondContact ND1-OE1 3.15Å; H33-E37 VanDerWaalsContact ND1-OE1 3.15Å; H33-E37 WeakPolarHBondContact O-CG 3.38Å; H33-E37 PolarHBondContact O-N 3.13Å; H33-E37 VanDerWaalsContact O-N 3.09Å; F34-E37 PolarHBondContact O-N 3.02Å; E37-E39 VanDerWaalsContact C-N 3.35Å; E37-E39 PolarHBondContact O-N 3.26Å; E37-A40 PolarHBondContact O-N 3.3Å; E37-I41 VanDerWaalsContact O-CG1 3.26Å; E37-I41 WeakPolarHBondContact O-CG1 3.48Å; E37-I41 PolarHBondContact O-N 3.31Å
38	L	77.7	Confident	73.9	Confident	63 Å²	63	111.3 Å²	111.3	33%	0.33	56%	0.556	S	S	.	*	H	α-helix	trans	-64.5	-39.3	177.5	-169.4	78.1	0	0	0	111.6	F34 D35 I41 K42	F34-L38 WeakPolarHBondContact O-CB 3.48Å; F34-L38 PolarHBondContact O-N 3.29Å; D35-L38 PolarHBondContact O-N 2.92Å; L38-I41 PolarHBondContact O-N 2.65Å; L38-K42 HydrophobicContact CG-CD 4.46Å; L38-K42 WeakPolarHBondContact O-CB 3.5Å; L38-K42 VanDerWaalsContact O-CG 3.28Å; L38-K42 WeakPolarHBondContact O-CG 3.47Å; L38-K42 PolarHBondContact O-N 3.38Å
39	E	84.8	Confident	75.4	Confident	140 Å²	140	112.4 Å²	112.4	65%	0.654	56%	0.556	S	S	*	*	H	α-helix	trans	-67.4	-42.6	176.6	-165.4	162.7	-156.3	0	0	111.5	D35 A36 E37 I41 K42 E43	D35-E39 WeakPolarHBondContact O-CB 3.37Å; D35-E39 PolarHBondContact O-N 3.05Å; A36-E39 PolarHBondContact O-N 3.2Å; E37-E39 VanDerWaalsContact C-N 3.35Å; E37-E39 PolarHBondContact O-N 3.26Å; E39-I41 VanDerWaalsContact C-N 3.33Å; E39-I41 PolarHBondContact O-N 3.27Å; E39-K42 PolarHBondContact O-N 3.11Å; E39-E43 WeakPolarHBondContact O-CB 3.49Å; E39-E43 PolarHBondContact O-N 3.44Å
40	A	86.6	Confident	77.3	Confident	57 Å²	57	111 Å²	111	47%	0.471	55%	0.545	S	S	.	.	H	α-helix	trans	-61.7	-38.3	173.6	0	0	0	0	0	112.6	A36 E37 R44	A36-A40 WeakPolarHBondContact O-CB 3.36Å; A36-A40 PolarHBondContact O-N 3.15Å; E37-A40 PolarHBondContact O-N 3.3Å; A40-R44 WeakPolarHBondContact O-CB 3.49Å; A40-R44 PolarHBondContact O-N 3.14Å
41	I	83.5	Confident	78.8	Confident	110 Å²	110	108.5 Å²	108.5	56%	0.564	53%	0.531	S	S	*	.	H	α-helix	trans	-68	-42.1	175.4	-68.5	165.4	0	0	0	111	E37 L38 E39 R44 F45	E37-I41 VanDerWaalsContact O-CG1 3.26Å; E37-I41 WeakPolarHBondContact O-CG1 3.48Å; E37-I41 PolarHBondContact O-N 3.31Å; L38-I41 PolarHBondContact O-N 2.65Å; E39-I41 VanDerWaalsContact C-N 3.33Å; E39-I41 PolarHBondContact O-N 3.27Å; I41-R44 PolarHBondContact O-N 2.85Å; I41-F45 WeakPolarHBondContact O-CB 3.21Å; I41-F45 PolarHBondContact O-N 3.44Å
42	K	87.8	Confident	80.5	Confident	130 Å²	130	104 Å²	104	57%	0.565	52%	0.519	S	S	*	.	H	α-helix	trans	-63.6	-41	176.1	-75.5	169.1	-178.9	168.4	0	111.7	L38 E39 F45 K46	L38-K42 HydrophobicContact CG-CD 4.46Å; L38-K42 WeakPolarHBondContact O-CB 3.5Å; L38-K42 VanDerWaalsContact O-CG 3.28Å; L38-K42 WeakPolarHBondContact O-CG 3.47Å; L38-K42 PolarHBondContact O-N 3.38Å; E39-K42 PolarHBondContact O-N 3.11Å; K42-F45 PolarHBondContact O-N 3.49Å; K42-K46 WeakPolarHBondContact O-CB 3.17Å; K42-K46 PolarHBondContact O-N 2.92Å
43	E	90.9	Very high	82.1	Confident	124 Å²	124	103 Å²	103	58%	0.579	52%	0.516	S	S	*	.	H	α-helix	trans	-63.2	-47.8	176	-172.9	171.6	-155.9	0	0	111	E39 F45 K46 E47	E39-E43 WeakPolarHBondContact O-CB 3.49Å; E39-E43 PolarHBondContact O-N 3.44Å; E43-F45 VanDerWaalsContact C-N 3.29Å; E43-F45 PolarHBondContact O-N 2.98Å; E43-K46 WeakPolarHBondContact O-CB 3.49Å; E43-K46 PolarHBondContact O-N 3.29Å; E43-K46 VanDerWaalsContact O-N 3.11Å; E43-E47 PolarHBondContact O-N 3.21Å
44	R	85.6	Confident	83.4	Confident	174 Å²	174	103.2 Å²	103.2	66%	0.657	52%	0.515	S	S	*	.	H	α-helix	trans	-58.8	-40.4	174.6	-170.1	-168.6	179.3	-152.4	0.5	112.3	A40 I41 K46 E47 I48	A40-R44 WeakPolarHBondContact O-CB 3.49Å; A40-R44 PolarHBondContact O-N 3.14Å; I41-R44 PolarHBondContact O-N 2.85Å; R44-K46 VanDerWaalsContact C-N 3.34Å; R44-E47 PolarHBondContact O-N 3.16Å; R44-I48 HydrophobicContact CG-CD1 4.08Å; R44-I48 VanDerWaalsContact O-CG1 3.26Å; R44-I48 WeakPolarHBondContact O-CG1 3.32Å; R44-I48 PolarHBondContact O-N 3.48Å
45	F	88.4	Confident	84.3	Confident	123 Å²	123	102.4 Å²	102.4	54%	0.539	52%	0.517	S	S	.	.	H	α-helix	trans	-63.9	-41	177.3	-169.9	-103.7	0	0	0	111.4	I41 K42 E43 E47 I48 E49	I41-F45 WeakPolarHBondContact O-CB 3.21Å; I41-F45 PolarHBondContact O-N 3.44Å; K42-F45 PolarHBondContact O-N 3.49Å; E43-F45 VanDerWaalsContact C-N 3.29Å; E43-F45 PolarHBondContact O-N 2.98Å; F45-E47 PolarHBondContact O-N 2.74Å; F45-I48 PolarHBondContact O-N 3.25Å; F45-E49 HydrophobicContact CD1-CG 4.19Å; F45-E49 HydrophobicContact CE1-CG 3.94Å; F45-E49 WeakPolarHBondContact CE1-OE1 3.47Å; F45-E49 HydrophobicContact CZ-CG 4.29Å; F45-E49 WeakPolarHBondContact CZ-OE1 3.27Å; F45-E49 WeakPolarHBondContact O-CG 3.46Å; F45-E49 PolarHBondContact O-N 2.78Å
46	K	90.8	Very high	84.5	Confident	153 Å²	153	103.4 Å²	103.4	67%	0.665	52%	0.518	S	S	*	.	H	α-helix	trans	-64	-38.6	176.1	-171.1	-179	-179.7	-176.3	0	112.7	K42 E43 R44 A50	K42-K46 WeakPolarHBondContact O-CB 3.17Å; K42-K46 PolarHBondContact O-N 2.92Å; E43-K46 WeakPolarHBondContact O-CB 3.49Å; E43-K46 PolarHBondContact O-N 3.29Å; E43-K46 VanDerWaalsContact O-N 3.11Å; R44-K46 VanDerWaalsContact C-N 3.34Å; K46-A50 WeakPolarHBondContact O-CB 3.49Å; K46-A50 PolarHBondContact O-N 3.07Å
47	E	88	Confident	84.6	Confident	120 Å²	120	104.9 Å²	104.9	56%	0.561	52%	0.518	S	S	*	.	H	α-helix	trans	-64.7	-44.8	173.6	-69.3	-174.9	160.9	0	0	111.8	E43 R44 F45 E49 A50 D51	E43-E47 PolarHBondContact O-N 3.21Å; R44-E47 PolarHBondContact O-N 3.16Å; F45-E47 PolarHBondContact O-N 2.74Å; E47-E49 VanDerWaalsContact C-N 3.35Å; E47-E49 PolarHBondContact O-N 3.24Å; E47-A50 PolarHBondContact O-N 2.95Å; E47-D51 PolarHBondContact O-N 3.23Å
48	I	86.2	Confident	84.7	Confident	89 Å²	89	105.1 Å²	105.1	46%	0.456	52%	0.522	S	S	.	.	H	α-helix	trans	-62	-42.4	177.2	-68.2	165.7	0	0	0	110.9	R44 F45 D51 A52	R44-I48 HydrophobicContact CG-CD1 4.08Å; R44-I48 VanDerWaalsContact O-CG1 3.26Å; R44-I48 WeakPolarHBondContact O-CG1 3.32Å; R44-I48 PolarHBondContact O-N 3.48Å; F45-I48 PolarHBondContact O-N 3.25Å; I48-D51 PolarHBondContact O-N 3.35Å; I48-A52 VanDerWaalsContact O-CB 3.31Å; I48-A52 WeakPolarHBondContact O-CB 3.24Å; I48-A52 PolarHBondContact O-N 2.94Å
49	E	83.3	Confident	84.7	Confident	97 Å²	97	110 Å²	110	45%	0.453	54%	0.536	S	S	.	.	H	α-helix	trans	-64.8	-41.8	175.8	-74.8	-170.8	152.9	0	0	112.1	F45 E47 D51 A52 N53	F45-E49 HydrophobicContact CD1-CG 4.19Å; F45-E49 HydrophobicContact CE1-CG 3.94Å; F45-E49 WeakPolarHBondContact CE1-OE1 3.47Å; F45-E49 HydrophobicContact CZ-CG 4.29Å; F45-E49 WeakPolarHBondContact CZ-OE1 3.27Å; F45-E49 WeakPolarHBondContact O-CG 3.46Å; F45-E49 PolarHBondContact O-N 2.78Å; E47-E49 VanDerWaalsContact C-N 3.35Å; E47-E49 PolarHBondContact O-N 3.24Å; E49-D51 VanDerWaalsContact C-N 3.32Å; E49-D51 PolarHBondContact O-N 3.05Å; E49-A52 PolarHBondContact O-N 3.33Å; E49-N53 WeakPolarHBondContact O-CB 3.43Å; E49-N53 VanDerWaalsContact O-CG 3.22Å; E49-N53 PolarHBondContact O-N 3.44Å; E49-N53 PolarHBondContact O-ND2 3.47Å; E49-N53 VanDerWaalsContact O-ND2 3.17Å
50	A	87.5	Confident	84.3	Confident	40 Å²	40	110.1 Å²	110.1	33%	0.331	53%	0.53	S	S	.	.	H	α-helix	trans	-62.3	-40.5	176.4	0	0	0	0	0	111.7	K46 E47 K54	K46-A50 WeakPolarHBondContact O-CB 3.49Å; K46-A50 PolarHBondContact O-N 3.07Å; E47-A50 PolarHBondContact O-N 2.95Å; A50-K54 VanDerWaalsContact O-CG 3.29Å; A50-K54 WeakPolarHBondContact O-CG 3.44Å; A50-K54 PolarHBondContact O-N 2.79Å; A50-K54 VanDerWaalsContact O-N 3.08Å
51	D	84.2	Confident	83.8	Confident	86 Å²	86	112.3 Å²	112.3	46%	0.46	54%	0.537	S	S	.	.	H	α-helix	trans	-72.3	-37.3	176.8	-78.6	-4.3	0	0	0	112.5	E47 I48 E49 N53 K54 L55	E47-D51 PolarHBondContact O-N 3.23Å; I48-D51 PolarHBondContact O-N 3.35Å; E49-D51 VanDerWaalsContact C-N 3.32Å; E49-D51 PolarHBondContact O-N 3.05Å; D51-N53 VanDerWaalsContact C-N 3.33Å; D51-N53 PolarHBondContact O-N 3.24Å; D51-K54 PolarHBondContact O-N 2.99Å; D51-K54 IonicContact OD1-NZ 2.8Å; D51-K54 PolarHBondContact OD1-NZ 3.37Å; D51-L55 WeakPolarHBondContact O-CB 3.42Å; D51-L55 VanDerWaalsContact O-CG 3.3Å; D51-L55 WeakPolarHBondContact O-CG 3.32Å; D51-L55 PolarHBondContact O-N 3.33Å
52	A	85.6	Confident	83.1	Confident	50 Å²	50	111.3 Å²	111.3	41%	0.413	53%	0.532	S	S	.	.	H	α-helix	trans	-61.5	-41.6	173	0	0	0	0	0	111.8	I48 E49 L55 H56	I48-A52 VanDerWaalsContact O-CB 3.31Å; I48-A52 WeakPolarHBondContact O-CB 3.24Å; I48-A52 PolarHBondContact O-N 2.94Å; E49-A52 PolarHBondContact O-N 3.33Å; A52-L55 PolarHBondContact O-N 3.03Å; A52-H56 PolarHBondContact O-N 3.11Å
53	N	86.1	Confident	81.9	Confident	104 Å²	104	111.1 Å²	111.1	56%	0.556	53%	0.533	S	S	*	.	H	α-helix	trans	-65.1	-45	176.3	-72.1	-28.7	0	0	0	111.7	E49 D51 L55 H56 D57	E49-N53 WeakPolarHBondContact O-CB 3.43Å; E49-N53 VanDerWaalsContact O-CG 3.22Å; E49-N53 PolarHBondContact O-N 3.44Å; E49-N53 PolarHBondContact O-ND2 3.47Å; E49-N53 VanDerWaalsContact O-ND2 3.17Å; D51-N53 VanDerWaalsContact C-N 3.33Å; D51-N53 PolarHBondContact O-N 3.24Å; N53-L55 VanDerWaalsContact C-N 3.31Å; N53-L55 PolarHBondContact O-N 3.43Å; N53-H56 WeakPolarHBondContact O-CB 3.39Å; N53-H56 PolarHBondContact O-N 3.06Å; N53-D57 PolarHBondContact O-N 2.62Å
54	K	85.4	Confident	80.7	Confident	120 Å²	120	113 Å²	113	52%	0.522	54%	0.54	S	S	.	.	H	α-helix	trans	-58.6	-42.6	174	-69.5	168.8	-157.3	157.4	0	111.6	A50 D51 H56 D57 L58	A50-K54 VanDerWaalsContact O-CG 3.29Å; A50-K54 WeakPolarHBondContact O-CG 3.44Å; A50-K54 PolarHBondContact O-N 2.79Å; A50-K54 VanDerWaalsContact O-N 3.08Å; D51-K54 PolarHBondContact O-N 2.99Å; D51-K54 IonicContact OD1-NZ 2.8Å; D51-K54 PolarHBondContact OD1-NZ 3.37Å; K54-H56 VanDerWaalsContact C-N 3.35Å; K54-D57 PolarHBondContact O-N 3.18Å; K54-L58 WeakPolarHBondContact O-CG 3.48Å; K54-L58 PolarHBondContact O-N 3.16Å
55	L	77.9	Confident	79	Confident	118 Å²	118	106.8 Å²	106.8	62%	0.618	52%	0.523	S	S	*	.	H	α-helix	trans	-65.3	-37.5	177.6	-74.3	173.1	0	0	0	112.2	D51 A52 N53 D57 L58 R59	D51-L55 WeakPolarHBondContact O-CB 3.42Å; D51-L55 VanDerWaalsContact O-CG 3.3Å; D51-L55 WeakPolarHBondContact O-CG 3.32Å; D51-L55 PolarHBondContact O-N 3.33Å; A52-L55 PolarHBondContact O-N 3.03Å; N53-L55 VanDerWaalsContact C-N 3.31Å; N53-L55 PolarHBondContact O-N 3.43Å; L55-D57 VanDerWaalsContact C-N 3.35Å; L55-L58 PolarHBondContact O-N 2.63Å; L55-R59 WeakPolarHBondContact O-CB 3.21Å; L55-R59 PolarHBondContact O-N 3.02Å
56	H	79.5	Confident	77.4	Confident	115 Å²	115	107.4 Å²	107.4	53%	0.532	54%	0.539	S	S	.	.	H	α-helix	trans	-63.1	-42.2	175.5	-176.9	-89.1	0	0	0	111.6	A52 N53 K54 R59 R60	A52-H56 PolarHBondContact O-N 3.11Å; N53-H56 WeakPolarHBondContact O-CB 3.39Å; N53-H56 PolarHBondContact O-N 3.06Å; K54-H56 VanDerWaalsContact C-N 3.35Å; H56-R59 PolarHBondContact O-N 3.29Å; H56-R60 WeakPolarHBondContact O-CB 3.5Å; H56-R60 PolarHBondContact O-N 3.26Å
57	D	81.8	Confident	75.5	Confident	90 Å²	90	106 Å²	106	48%	0.481	54%	0.538	S	S	.	.	H	α-helix	trans	-67.2	-43.1	176.9	-71.9	-24.5	0	0	0	112.2	N53 K54 L55 R59 R60 V61	N53-D57 PolarHBondContact O-N 2.62Å; K54-D57 PolarHBondContact O-N 3.18Å; L55-D57 VanDerWaalsContact C-N 3.35Å; D57-R59 VanDerWaalsContact C-N 3.32Å; D57-R59 PolarHBondContact O-N 2.91Å; D57-R60 WeakPolarHBondContact O-CB 3.35Å; D57-R60 PolarHBondContact O-N 2.66Å; D57-R60 VanDerWaalsContact O-N 3.15Å; D57-V61 WeakPolarHBondContact O-CG2 3.13Å; D57-V61 PolarHBondContact O-N 2.88Å
58	L	77.4	Confident	73.4	Confident	104 Å²	104	102.5 Å²	102.5	55%	0.545	53%	0.527	S	S	.	.	H	α-helix	trans	-59.7	-42.7	173.4	-71.2	173.7	0	0	0	111.4	K54 L55 R60 V61 I62	K54-L58 WeakPolarHBondContact O-CG 3.48Å; K54-L58 PolarHBondContact O-N 3.16Å; L55-L58 PolarHBondContact O-N 2.63Å; L58-R60 VanDerWaalsContact C-N 3.32Å; L58-R60 PolarHBondContact O-N 2.87Å; L58-V61 PolarHBondContact O-N 3.47Å; L58-I62 WeakPolarHBondContact O-CB 3.29Å; L58-I62 WeakPolarHBondContact O-CD1 3.31Å; L58-I62 VanDerWaalsContact O-CG1 3.23Å; L58-I62 WeakPolarHBondContact O-CG1 3.29Å; L58-I62 PolarHBondContact O-N 3.46Å
59	R	77.1	Confident	71.7	Confident	167 Å²	167	106.4 Å²	106.4	63%	0.63	54%	0.54	S	S	*	.	H	α-helix	trans	-60.7	-41.8	175.1	-176.5	171.8	-178.9	150.7	-1.6	111.4	L55 H56 D57 I62 Q63	L55-R59 WeakPolarHBondContact O-CB 3.21Å; L55-R59 PolarHBondContact O-N 3.02Å; H56-R59 PolarHBondContact O-N 3.29Å; D57-R59 VanDerWaalsContact C-N 3.32Å; D57-R59 PolarHBondContact O-N 2.91Å; R59-I62 PolarHBondContact O-N 2.82Å; R59-Q63 HydrophobicContact CG-CG 4.45Å; R59-Q63 WeakPolarHBondContact O-CB 3.19Å; R59-Q63 VanDerWaalsContact O-CG 3.31Å; R59-Q63 WeakPolarHBondContact O-CG 3.48Å; R59-Q63 PolarHBondContact O-N 3.46Å
60	R	77.4	Confident	70.2	Confident	142 Å²	142	105.9 Å²	105.9	54%	0.536	55%	0.547	S	S	.	.	H	α-helix	trans	-64.6	-40.4	178.4	-161.8	-179.9	-155.8	174.7	6.6	112.2	H56 D57 L58 K64	H56-R60 WeakPolarHBondContact O-CB 3.5Å; H56-R60 PolarHBondContact O-N 3.26Å; D57-R60 WeakPolarHBondContact O-CB 3.35Å; D57-R60 PolarHBondContact O-N 2.66Å; D57-R60 VanDerWaalsContact O-N 3.15Å; L58-R60 VanDerWaalsContact C-N 3.32Å; L58-R60 PolarHBondContact O-N 2.87Å; R60-K64 WeakPolarHBondContact O-CG 3.45Å; R60-K64 PolarHBondContact O-N 3.13Å; R60-K64 VanDerWaalsContact O-N 3.08Å
61	V	75.2	Confident	68.6	Low	102 Å²	102	107.9 Å²	107.9	62%	0.618	55%	0.552	S	S	*	*	H	α-helix	trans	-66.4	-44.7	176	174.1	0	0	0	0	110.7	D57 L58 Q63 K64 S65	D57-V61 WeakPolarHBondContact O-CG2 3.13Å; D57-V61 PolarHBondContact O-N 2.88Å; L58-V61 PolarHBondContact O-N 3.47Å; V61-Q63 PolarHBondContact O-N 2.98Å; V61-K64 PolarHBondContact O-N 2.92Å; V61-S65 PolarHBondContact O-N 2.99Å; V61-S65 VanDerWaalsContact O-N 3.13Å
62	I	68.5	Low	67.2	Low	89 Å²	89	107.3 Å²	107.3	46%	0.456	55%	0.549	S	S	.	.	H	α-helix	trans	-62.6	-42.5	177.8	-67.6	165	0	0	0	111	L58 R59 K64 S65 S68	L58-I62 WeakPolarHBondContact O-CB 3.29Å; L58-I62 WeakPolarHBondContact O-CD1 3.31Å; L58-I62 VanDerWaalsContact O-CG1 3.23Å; L58-I62 WeakPolarHBondContact O-CG1 3.29Å; L58-I62 PolarHBondContact O-N 3.46Å; R59-I62 PolarHBondContact O-N 2.82Å; I62-K64 VanDerWaalsContact C-N 3.33Å; I62-K64 PolarHBondContact O-N 3Å; I62-S65 PolarHBondContact O-N 2.91Å; I62-S65 PolarHBondContact O-OG 2.77Å; I62-S68 PolarHBondContact O-OG 2.99Å
63	Q	63.6	Low	65.9	Low	126 Å²	126	109 Å²	109	59%	0.589	56%	0.559	S	S	*	*	H	α-helix	trans	-65.6	-31.5	176.9	-77.6	-179.5	-24.4	0	0	113.5	R59 V61	R59-Q63 HydrophobicContact CG-CG 4.45Å; R59-Q63 WeakPolarHBondContact O-CB 3.19Å; R59-Q63 VanDerWaalsContact O-CG 3.31Å; R59-Q63 WeakPolarHBondContact O-CG 3.48Å; R59-Q63 PolarHBondContact O-N 3.46Å; V61-Q63 PolarHBondContact O-N 2.98Å
64	K	65.5	Low	64.9	Low	164 Å²	164	110.4 Å²	110.4	71%	0.713	57%	0.566	S	S	*	*	H	α-helix	trans	-81.9	-13.5	176.2	-78	-178.3	175.5	-176.3	0	114	R60 V61 I62	R60-K64 WeakPolarHBondContact O-CG 3.45Å; R60-K64 PolarHBondContact O-N 3.13Å; R60-K64 VanDerWaalsContact O-N 3.08Å; V61-K64 PolarHBondContact O-N 2.92Å; I62-K64 VanDerWaalsContact C-N 3.33Å; I62-K64 PolarHBondContact O-N 3Å
65	S	49.4	Very low	64.1	Low	43 Å²	43	108.6 Å²	108.6	30%	0.301	56%	0.56	S	S	.	*	S	Bend	trans	-80.1	128.3	176.9	73.1	0	0	0	0	110.9	V61 I62 I67	V61-S65 PolarHBondContact O-N 2.99Å; V61-S65 VanDerWaalsContact O-N 3.13Å; I62-S65 PolarHBondContact O-N 2.91Å; I62-S65 PolarHBondContact O-OG 2.77Å; S65-I67 PolarHBondContact O-N 2.75Å
66	P	55.6	Low	64.2	Low	137 Å²	137	105.5 Å²	105.5	89%	0.89	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	10.3	-178.2	29.1	-35.4	0	0	0	113.9
67	I	51	Low	64.4	Low	124 Å²	124	105.7 Å²	105.7	64%	0.636	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	9.2	-168.6	-140.2	77.7	0	0	0	114.2	S65 K69	S65-I67 PolarHBondContact O-N 2.75Å; I67-K69 PolarHBondContact O-N 3.26Å
68	S	43.4	Very low	64.5	Low	46 Å²	46	108.5 Å²	108.5	32%	0.322	56%	0.564	S	S	.	*			trans	-77.3	71.2	178.4	-68.6	0	0	0	0	112.2	I62 S70	I62-S68 PolarHBondContact O-OG 2.99Å; S68-S70 PolarHBondContact O-N 2.9Å
69	K	49.6	Very low	64.9	Low	170 Å²	170	106.3 Å²	106.3	74%	0.739	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.7	115.5	160.3	-67.1	169.3	-178.6	169.4	0	108.2	I67	I67-K69 PolarHBondContact O-N 3.26Å
70	S	52	Low	65.4	Low	87 Å²	87	101.1 Å²	101.1	61%	0.608	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.1	27.5	159.5	86.2	0	0	0	0	121.7	S68 N72	S68-S70 PolarHBondContact O-N 2.9Å; S70-N72 PolarHBondContact O-N 2.8Å
71	N	53.6	Low	65.9	Low	81 Å²	81	97.2 Å²	97.2	43%	0.433	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-72.6	16.2	172.6	-83.4	-5.1	0	0	0	116.8	S73	N71-S73 PolarHBondContact O-N 2.96Å
72	N	56	Low	66.6	Low	74 Å²	74	96.9 Å²	96.9	40%	0.396	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-72.4	-9.5	169.6	-90.8	34.5	0	0	0	112.8	S70 N74 K80	S70-N72 PolarHBondContact O-N 2.8Å; N72-N74 VanDerWaalsContact C-N 3.34Å; N72-K80 WeakPolarHBondContact O-CE 3.43Å
73	S	58.7	Low	67.7	Low	87 Å²	87	93.6 Å²	93.6	61%	0.608	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-73.9	-24.3	178.1	59.1	0	0	0	0	113.6	N71	N71-S73 PolarHBondContact O-N 2.96Å
74	N	64	Low	69	Low	132 Å²	132	88.4 Å²	88.4	71%	0.706	48%	0.479	S	S	*	.	S	Bend	trans	-107.3	0.5	-170.5	-63.9	5.8	0	0	0	113.7	N72	N72-N74 VanDerWaalsContact C-N 3.34Å
75	M	68.4	Low	70.3	Confident	82 Å²	82	85 Å²	85	40%	0.404	47%	0.468	S	S	.	.	S	Bend	trans	-82.7	145.1	175.1	-62.2	-54.4	-64.6	0	0	109.7	D79 K80	M75-D79 HydrophobicContact CB-CB 4Å; M75-D79 HydrophobicContact CE-CB 3.49Å; M75-D79 VanDerWaalsContact CE-CB 3.49Å; M75-D79 WeakPolarHBondContact CE-OD2 3.4Å; M75-K80 HydrophobicContact CB-CG 4.08Å; M75-K80 WeakPolarHBondContact O-CE 3.28Å; M75-K80 PolarHBondContact O-NZ 2.84Å
76	S	81.6	Confident	72.4	Confident	54 Å²	54	85.6 Å²	85.6	38%	0.378	46%	0.464	S	S	.	.			trans	-60.6	158.9	171.6	73	0	0	0	0	109.7	E78 D79 K80	S76-E78 PolarHBondContact O-N 3Å; S76-D79 WeakPolarHBondContact CB-OD2 3.31Å; S76-D79 PolarHBondContact N-OD2 3.17Å; S76-D79 PolarHBondContact O-N 3.01Å; S76-D79 PolarHBondContact OG-N 2.96Å; S76-D79 VanDerWaalsContact OG-N 3.16Å; S76-D79 PolarHBondContact OG-OD2 3.32Å; S76-K80 WeakPolarHBondContact O-CG 3.47Å; S76-K80 PolarHBondContact O-N 3.38Å
77	D	82.7	Confident	74.3	Confident	118 Å²	118	79.2 Å²	79.2	63%	0.631	42%	0.422	S	S	*	.	H	α-helix	trans	-64.4	-30.3	178.7	-67.1	-29.5	0	0	0	111.5	K80 T81	D77-K80 PolarHBondContact O-N 3.2Å; D77-K80 IonicContact OD1-NZ 3.75Å; D77-K80 PolarHBondContact OD1-NZ 3.45Å; D77-T81 WeakPolarHBondContact O-CG2 3.5Å; D77-T81 PolarHBondContact O-N 3.48Å
78	E	84.2	Confident	76.5	Confident	149 Å²	149	73.3 Å²	73.3	70%	0.696	39%	0.392	S	S	*	.	H	α-helix	trans	-61.6	-51.2	172.4	-64.2	177.8	177.4	0	0	110.9	S76 K80 T81 E82	S76-E78 PolarHBondContact O-N 3Å; E78-K80 VanDerWaalsContact C-N 3.3Å; E78-K80 PolarHBondContact O-N 2.85Å; E78-T81 WeakPolarHBondContact O-CA 3.3Å; E78-T81 PolarHBondContact O-N 2.83Å; E78-T81 PolarHBondContact O-OG1 2.97Å; E78-E82 PolarHBondContact O-N 3.32Å
79	D	86.5	Confident	79	Confident	59 Å²	59	74.4 Å²	74.4	32%	0.316	39%	0.389	S	S	.	.	H	α-helix	trans	-59.7	-40.1	178.2	-61.7	-45.7	0	0	0	112.2	M75 S76 T81 E82 V83	M75-D79 HydrophobicContact CB-CB 4Å; M75-D79 HydrophobicContact CE-CB 3.49Å; M75-D79 VanDerWaalsContact CE-CB 3.49Å; M75-D79 WeakPolarHBondContact CE-OD2 3.4Å; S76-D79 WeakPolarHBondContact CB-OD2 3.31Å; S76-D79 PolarHBondContact N-OD2 3.17Å; S76-D79 PolarHBondContact O-N 3.01Å; S76-D79 PolarHBondContact OG-N 2.96Å; S76-D79 VanDerWaalsContact OG-N 3.16Å; S76-D79 PolarHBondContact OG-OD2 3.32Å; D79-T81 VanDerWaalsContact C-N 3.31Å; D79-T81 PolarHBondContact O-N 2.82Å; D79-E82 PolarHBondContact O-N 3.5Å; D79-V83 WeakPolarHBondContact O-CB 3.21Å; D79-V83 VanDerWaalsContact O-CG2 3.29Å; D79-V83 WeakPolarHBondContact O-CG2 3.44Å; D79-V83 PolarHBondContact O-N 3.46Å
80	K	86.2	Confident	81.2	Confident	57 Å²	57	66.3 Å²	66.3	25%	0.248	35%	0.354	C	S	.	.	H	α-helix	trans	-61.8	-42.5	175.8	-68.3	170.7	-164.4	144.3	0	110.8	N72 M75 S76 D77 E78 V83 D84	N72-K80 WeakPolarHBondContact O-CE 3.43Å; M75-K80 HydrophobicContact CB-CG 4.08Å; M75-K80 WeakPolarHBondContact O-CE 3.28Å; M75-K80 PolarHBondContact O-NZ 2.84Å; S76-K80 WeakPolarHBondContact O-CG 3.47Å; S76-K80 PolarHBondContact O-N 3.38Å; D77-K80 PolarHBondContact O-N 3.2Å; D77-K80 IonicContact OD1-NZ 3.75Å; D77-K80 PolarHBondContact OD1-NZ 3.45Å; E78-K80 VanDerWaalsContact C-N 3.3Å; E78-K80 PolarHBondContact O-N 2.85Å; K80-V83 PolarHBondContact O-N 3.19Å; K80-D84 VanDerWaalsContact O-CB 3.29Å; K80-D84 WeakPolarHBondContact O-CB 3.26Å; K80-D84 PolarHBondContact O-N 2.79Å
81	T	87.4	Confident	83.3	Confident	60 Å²	60	62.2 Å²	62.2	37%	0.368	33%	0.326	S	S	.	.	H	α-helix	trans	-65.4	-39.7	177.1	61.6	0	0	0	0	111.7	D77 E78 D79 D84 L85 T163	D77-T81 WeakPolarHBondContact O-CG2 3.5Å; D77-T81 PolarHBondContact O-N 3.48Å; E78-T81 WeakPolarHBondContact O-CA 3.3Å; E78-T81 PolarHBondContact O-N 2.83Å; E78-T81 PolarHBondContact O-OG1 2.97Å; D79-T81 VanDerWaalsContact C-N 3.31Å; D79-T81 PolarHBondContact O-N 2.82Å; T81-D84 PolarHBondContact O-N 3.34Å; T81-L85 WeakPolarHBondContact O-CB 3.32Å; T81-L85 WeakPolarHBondContact O-CG 3.05Å; T81-L85 PolarHBondContact O-N 2.79Å; T81-T163 HydrophobicContact CG2-CG2 4.15Å
82	E	90.1	Very high	85.3	Confident	95 Å²	95	61.9 Å²	61.9	44%	0.444	32%	0.324	S	S	.	.	H	α-helix	trans	-66.1	-40.8	177	-69.3	-169.1	169.4	0	0	113	E78 D79 D84 L85 R86	E78-E82 PolarHBondContact O-N 3.32Å; D79-E82 PolarHBondContact O-N 3.5Å; E82-D84 VanDerWaalsContact C-N 3.34Å; E82-L85 PolarHBondContact O-N 3.23Å; E82-R86 PolarHBondContact O-N 3.29Å; E82-R86 VanDerWaalsContact O-N 3.14Å
83	V	91.5	Very high	87.1	Confident	21 Å²	21	58.5 Å²	58.5	13%	0.127	31%	0.306	C	S	.	.	H	α-helix	trans	-62.8	-43.7	172.5	170.2	0	0	0	0	110.2	D79 K80 L85 R86 S87 E133	D79-V83 WeakPolarHBondContact O-CB 3.21Å; D79-V83 VanDerWaalsContact O-CG2 3.29Å; D79-V83 WeakPolarHBondContact O-CG2 3.44Å; D79-V83 PolarHBondContact O-N 3.46Å; K80-V83 PolarHBondContact O-N 3.19Å; V83-L85 VanDerWaalsContact C-N 3.32Å; V83-L85 PolarHBondContact O-N 3.4Å; V83-R86 CarbonylContact O-C 3.46Å; V83-R86 PolarHBondContact O-N 3.1Å; V83-R86 VanDerWaalsContact O-N 3.16Å; V83-S87 WeakPolarHBondContact O-CB 3.1Å; V83-S87 PolarHBondContact O-N 3.07Å; V83-S87 VanDerWaalsContact O-N 3.13Å; V83-S87 PolarHBondContact O-OG 2.91Å; V83-E133 HydrophobicContact CG1-CG 4.03Å
84	D	91.6	Very high	88.7	Confident	17 Å²	17	55.8 Å²	55.8	9%	0.091	29%	0.285	C	S	.	.	H	α-helix	trans	-63.2	-37.6	177.6	-74.7	-11.9	0	0	0	112	K80 T81 E82 R86 S87 K161 T163	K80-D84 VanDerWaalsContact O-CB 3.29Å; K80-D84 WeakPolarHBondContact O-CB 3.26Å; K80-D84 PolarHBondContact O-N 2.79Å; T81-D84 PolarHBondContact O-N 3.34Å; E82-D84 VanDerWaalsContact C-N 3.34Å; D84-R86 VanDerWaalsContact C-N 3.29Å; D84-R86 PolarHBondContact O-N 3.3Å; D84-S87 WeakPolarHBondContact O-CB 3.3Å; D84-S87 PolarHBondContact O-N 2.8Å; D84-S87 VanDerWaalsContact O-N 3.11Å; D84-K161 HydrophobicContact CB-CD 4.38Å; D84-K161 WeakPolarHBondContact OD1-CE 3.22Å; D84-K161 IonicContact OD1-NZ 2.81Å; D84-K161 PolarHBondContact OD1-NZ 3.2Å; D84-T163 HydrophobicContact CB-CG2 3.73Å
85	L	93	Very high	90.1	Very high	93 Å²	93	56.3 Å²	56.3	49%	0.487	28%	0.278	S	S	.	.	H	α-helix	trans	-66.7	-28.7	175	-72.4	171.5	0	0	0	113.1	T81 E82 V83 S87	T81-L85 WeakPolarHBondContact O-CB 3.32Å; T81-L85 WeakPolarHBondContact O-CG 3.05Å; T81-L85 PolarHBondContact O-N 2.79Å; E82-L85 PolarHBondContact O-N 3.23Å; V83-L85 VanDerWaalsContact C-N 3.32Å; V83-L85 PolarHBondContact O-N 3.4Å; L85-S87 VanDerWaalsContact C-N 3.3Å
86	R	94	Very high	91.2	Very high	55 Å²	55	54.3 Å²	54.3	21%	0.208	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	9	173.2	-66.9	-172.9	-68.1	153.2	3.1	113.1	E82 V83 D84 F134 D135 R137 V140	E82-R86 PolarHBondContact O-N 3.29Å; E82-R86 VanDerWaalsContact O-N 3.14Å; V83-R86 CarbonylContact O-C 3.46Å; V83-R86 PolarHBondContact O-N 3.1Å; V83-R86 VanDerWaalsContact O-N 3.16Å; D84-R86 VanDerWaalsContact C-N 3.29Å; D84-R86 PolarHBondContact O-N 3.3Å; R86-F134 WeakPolarHBondContact CB-O 3.36Å; R86-F134 PolarHBondContact O-N 3.39Å; R86-D135 WeakPolarHBondContact CD-O 3.29Å; R86-D135 PolarHBondContact NH1-O 2.98Å; R86-D135 IonicContact NH1-OD1 2.79Å; R86-D135 PolarHBondContact NH1-OD1 2.8Å; R86-R137 HydrophobicContact CG-CG 3.69Å; R86-V140 VanDerWaalsContact C-CG2 3.44Å; R86-V140 WeakPolarHBondContact O-CG2 3.49Å
87	S	95.3	Very high	91.7	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	148.3	-176.3	-66.1	0	0	0	0	112.7	V83 D84 L85 I132 K161	V83-S87 WeakPolarHBondContact O-CB 3.1Å; V83-S87 PolarHBondContact O-N 3.07Å; V83-S87 VanDerWaalsContact O-N 3.13Å; V83-S87 PolarHBondContact O-OG 2.91Å; D84-S87 WeakPolarHBondContact O-CB 3.3Å; D84-S87 PolarHBondContact O-N 2.8Å; D84-S87 VanDerWaalsContact O-N 3.11Å; L85-S87 VanDerWaalsContact C-N 3.3Å; S87-I132 CarbonylContact C-O 3.5Å; S87-I132 WeakPolarHBondContact CA-O 3.41Å; S87-K161 WeakPolarHBondContact O-CB 3.49Å; S87-K161 PolarHBondContact O-N 2.93Å
88	V	96.2	Very high	92.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	140.3	178	174.2	0	0	0	0	110.1	V90 Y131 I132 F134 V140 A143 V158 L159	V88-V90 HydrophobicContact CG1-CG2 4.23Å; V88-Y131 VanDerWaalsContact O-CA 3.31Å; V88-Y131 WeakPolarHBondContact O-CA 3.12Å; V88-I132 PolarHBondContact N-O 3.43Å; V88-I132 PolarHBondContact O-N 3.25Å; V88-F134 HydrophobicContact CB-CE2 4.09Å; V88-F134 HydrophobicContact CG2-CD2 4.14Å; V88-F134 HydrophobicContact CG2-CE2 3.67Å; V88-V140 HydrophobicContact CG2-CB 4.1Å; V88-V140 HydrophobicContact CG2-CG1 3.62Å; V88-V140 HydrophobicContact CG2-CG2 4.22Å; V88-A143 HydrophobicContact CG2-CB 4.02Å; V88-V158 HydrophobicContact CG1-CG1 3.23Å; V88-L159 WeakPolarHBondContact CG1-O 3.35Å
89	Y	96.5	Very high	92.6	Very high	68 Å²	68	44.5 Å²	44.5	27%	0.267	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	126.6	166	169.6	-97	0	0	0	109.7	F129 Y131 V158 L159	Y89-F129 HydrophobicContact CE2-CB 3.69Å; Y89-F129 AromaticContact CE2-CD2 3.98Å; Y89-F129 HydrophobicContact CE2-CD2 3.98Å; Y89-F129 HydrophobicContact CE2-CG 4Å; Y89-Y131 HydrophobicContact CD2-CD1 4.34Å; Y89-Y131 AromaticContact CD2-CE1 3.69Å; Y89-Y131 HydrophobicContact CD2-CE1 3.69Å; Y89-Y131 HydrophobicContact CG-CE1 4.39Å; Y89-V158 WeakPolarHBondContact O-CA 3.48Å; Y89-L159 WeakPolarHBondContact CA-O 3.31Å; Y89-L159 WeakPolarHBondContact CB-O 3.43Å; Y89-L159 HydrophobicContact CD1-CB 4.24Å; Y89-L159 PolarHBondContact N-O 3.15Å; Y89-L159 PolarHBondContact O-N 3.18Å
90	V	95.9	Very high	93	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	113.7	173.7	-171.4	0	0	0	0	108.4	V88 V93 F106 F129 A130 I132 L156 K157	V88-V90 HydrophobicContact CG1-CG2 4.23Å; V90-V93 HydrophobicContact CB-CG2 4.11Å; V90-V93 HydrophobicContact CG1-CG2 3.56Å; V90-F106 HydrophobicContact CG1-CE2 4.17Å; V90-F106 HydrophobicContact CG1-CZ 4.14Å; V90-F106 HydrophobicContact CG2-CE2 3.87Å; V90-F106 HydrophobicContact CG2-CZ 3.78Å; V90-F129 CarbonylContact O-C 3.48Å; V90-F129 WeakPolarHBondContact O-CA 3.25Å; V90-F129 VanDerWaalsContact O-CB 3.29Å; V90-F129 WeakPolarHBondContact O-CB 2.96Å; V90-A130 PolarHBondContact N-O 3.3Å; V90-A130 PolarHBondContact O-N 3.42Å; V90-I132 HydrophobicContact CG2-CD1 3.78Å; V90-I132 HydrophobicContact CG2-CG1 4.16Å; V90-L156 HydrophobicContact CG1-CB 4.28Å; V90-L156 HydrophobicContact CG1-CD1 4.08Å; V90-L156 HydrophobicContact CG1-CD2 4.13Å; V90-L156 HydrophobicContact CG1-CG 4.4Å; V90-K157 CarbonylContact C-O 3.56Å; V90-K157 WeakPolarHBondContact CA-O 3.42Å
91	G	95.7	Very high	93.4	Very high	1 Å²	1	48 Å²	48	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	167.2	176.9	0	0	0	0	0	112.8	V93 K157	G91-V93 PolarHBondContact O-N 2.97Å; G91-K157 PolarHBondContact N-O 2.95Å; G91-K157 PolarHBondContact O-N 3.24Å
92	N	95.2	Very high	93.8	Very high	75 Å²	75	45.1 Å²	45.1	40%	0.401	24%	0.237	S	C	.	.	S	Bend	trans	59.4	25.6	-178	-160.8	35.7	0	0	0	114.3	G128 R154 Q155	N92-G128 PolarHBondContact N-O 3.15Å; N92-R154 PolarHBondContact O-NE 3.33Å; N92-R154 PolarHBondContact OD1-NH2 2.81Å; N92-Q155 PolarHBondContact ND2-O 3.38Å
93	V	94.1	Very high	94	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.012	23%	0.233	C	C	.	.			trans	-65.3	142.4	176.9	-178.1	0	0	0	0	109.7	V90 G91 S97 L102 G128 A130 F151 L156	V90-V93 HydrophobicContact CB-CG2 4.11Å; V90-V93 HydrophobicContact CG1-CG2 3.56Å; G91-V93 PolarHBondContact O-N 2.97Å; V93-S97 WeakPolarHBondContact CG1-OG 3.18Å; V93-L102 HydrophobicContact CG1-CD1 4.27Å; V93-L102 HydrophobicContact CG1-CD2 4.07Å; V93-L102 HydrophobicContact CG2-CD2 4.49Å; V93-G128 PolarHBondContact N-O 2.96Å; V93-G128 VanDerWaalsContact O-CA 3.3Å; V93-G128 WeakPolarHBondContact O-CA 3.37Å; V93-A130 HydrophobicContact CG2-CB 4.48Å; V93-F151 HydrophobicContact CG1-CE1 4.48Å; V93-L156 HydrophobicContact CG2-CD2 4.18Å
94	D	93.5	Very high	94.2	Very high	31 Å²	31	46.5 Å²	46.5	17%	0.166	25%	0.254	C	S	.	.			trans	-62.8	146.5	177.1	-173.5	48.5	0	0	0	112.4	G96 S97 R152 R154	D94-G96 PolarHBondContact O-N 2.83Å; D94-G96 PolarHBondContact OD2-N 3.46Å; D94-S97 WeakPolarHBondContact O-CB 3.33Å; D94-S97 PolarHBondContact O-N 3.5Å; D94-S97 PolarHBondContact O-OG 3.43Å; D94-R152 HydrophobicContact CB-CB 4.07Å; D94-R152 IonicContact OD2-CZ 3.15Å; D94-R152 IonicContact OD2-NE 3.46Å; D94-R152 PolarHBondContact OD2-NE 3.06Å; D94-R152 IonicContact OD2-NH2 2.94Å; D94-R152 PolarHBondContact OD2-NH2 3Å; D94-R154 IonicContact OD1-NH1 2.63Å
95	Y	92.9	Very high	94.3	Very high	142 Å²	142	47.9 Å²	47.9	56%	0.557	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-20.4	-179.4	-56.5	-60.7	0	0	0	112.7	P126	Y95-P126 HydrophobicContact CD1-CB 4.5Å; Y95-P126 HydrophobicContact CD1-CG 4.24Å; Y95-P126 WeakPolarHBondContact CD1-O 2.96Å; Y95-P126 WeakPolarHBondContact CE1-O 3.38Å; Y95-P126 WeakPolarHBondContact O-CG 3.31Å
96	G	91.4	Very high	94.4	Very high	41 Å²	41	43.5 Å²	43.5	42%	0.423	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	6	175	0	0	0	0	0	114.4	D94 R152	D94-G96 PolarHBondContact O-N 2.83Å; D94-G96 PolarHBondContact OD2-N 3.46Å; G96-R152 PolarHBondContact O-NH1 2.95Å
97	S	91.8	Very high	94.4	Very high	14 Å²	14	49.3 Å²	49.3	10%	0.098	26%	0.258	C	S	.	.			trans	-69.1	135.9	-176.7	70	0	0	0	0	111.8	V93 D94	V93-S97 WeakPolarHBondContact CG1-OG 3.18Å; D94-S97 WeakPolarHBondContact O-CB 3.33Å; D94-S97 PolarHBondContact O-N 3.5Å; D94-S97 PolarHBondContact O-OG 3.43Å
98	T	93.4	Very high	94.3	Very high	64 Å²	64	54 Å²	54	39%	0.393	29%	0.291	S	S	.	.			trans	-94.5	163.8	170.7	63	0	0	0	0	111.2	D100 E101 L102	T98-D100 VanDerWaalsContact C-N 3.27Å; T98-D100 PolarHBondContact O-N 3.29Å; T98-E101 PolarHBondContact O-N 3.19Å; T98-E101 VanDerWaalsContact OG1-CG 3.32Å; T98-E101 WeakPolarHBondContact OG1-CG 3.44Å; T98-E101 PolarHBondContact OG1-N 3.47Å; T98-L102 PolarHBondContact O-N 3.03Å
99	A	93.2	Very high	94.2	Very high	37 Å²	37	55.1 Å²	55.1	31%	0.306	30%	0.299	S	S	.	.	H	α-helix	trans	-61.1	-40.6	174.4	0	0	0	0	0	111	E101 L102 E103 V115 I117	A99-E101 PolarHBondContact O-N 3.24Å; A99-L102 PolarHBondContact O-N 3.43Å; A99-E103 WeakPolarHBondContact O-CB 3.5Å; A99-E103 PolarHBondContact O-N 2.84Å; A99-V115 HydrophobicContact CB-CB 4.25Å; A99-V115 HydrophobicContact CB-CG1 4.19Å; A99-I117 HydrophobicContact CB-CD1 4.36Å
100	D	95.2	Very high	94.1	Very high	119 Å²	119	52.5 Å²	52.5	64%	0.636	29%	0.293	S	S	*	.	H	α-helix	trans	-61.6	-39.7	179.6	-52.5	-5.5	0	0	0	112.4	T98 E103 A104	T98-D100 VanDerWaalsContact C-N 3.27Å; T98-D100 PolarHBondContact O-N 3.29Å; D100-E103 PolarHBondContact O-N 3.21Å; D100-A104 WeakPolarHBondContact O-CB 3.46Å; D100-A104 PolarHBondContact O-N 3.28Å
101	E	94.6	Very high	94.1	Very high	70 Å²	70	56.1 Å²	56.1	33%	0.327	32%	0.316	S	S	.	.	H	α-helix	trans	-66.7	-41.1	176.8	-75.7	175.5	-176.1	0	0	112	T98 A99 H105 F151 R152	T98-E101 PolarHBondContact O-N 3.19Å; T98-E101 VanDerWaalsContact OG1-CG 3.32Å; T98-E101 WeakPolarHBondContact OG1-CG 3.44Å; T98-E101 PolarHBondContact OG1-N 3.47Å; A99-E101 PolarHBondContact O-N 3.24Å; E101-H105 PolarHBondContact O-N 2.89Å; E101-H105 VanDerWaalsContact O-N 3.1Å; E101-F151 HydrophobicContact CB-CE2 4.11Å; E101-F151 HydrophobicContact CB-CZ 3.87Å; E101-R152 VanDerWaalsContact CD-NH1 3.28Å; E101-R152 IonicContact OE1-NH1 3.21Å; E101-R152 PolarHBondContact OE1-NH1 3.17Å; E101-R152 WeakPolarHBondContact OE2-CD 3.5Å; E101-R152 IonicContact OE2-CZ 2.8Å; E101-R152 IonicContact OE2-NE 3.54Å; E101-R152 IonicContact OE2-NH1 3.97Å; E101-R152 PolarHBondContact OE2-NH1 3.27Å
102	L	94.3	Very high	94.1	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-67	-42.4	175.2	-70.5	175	0	0	0	110.9	V93 T98 A99 A104 H105 F106 V115 I117 A130 F151	V93-L102 HydrophobicContact CG1-CD1 4.27Å; V93-L102 HydrophobicContact CG1-CD2 4.07Å; V93-L102 HydrophobicContact CG2-CD2 4.49Å; T98-L102 PolarHBondContact O-N 3.03Å; A99-L102 PolarHBondContact O-N 3.43Å; L102-A104 PolarHBondContact O-N 3.32Å; L102-H105 PolarHBondContact O-N 3.43Å; L102-F106 WeakPolarHBondContact O-CD2 3.2Å; L102-F106 PolarHBondContact O-N 2.8Å; L102-V115 HydrophobicContact CB-CG1 4.16Å; L102-V115 HydrophobicContact CD1-CG1 4.04Å; L102-I117 HydrophobicContact CD1-CD1 3.99Å; L102-I117 HydrophobicContact CD1-CG1 3.86Å; L102-A130 HydrophobicContact CD1-CB 3.71Å; L102-F151 HydrophobicContact CD2-CE1 4.14Å; L102-F151 HydrophobicContact CD2-CE2 4.42Å; L102-F151 HydrophobicContact CD2-CZ 4Å; L102-F151 HydrophobicContact CG-CZ 4.49Å
103	E	95.4	Very high	94	Very high	76 Å²	76	57.7 Å²	57.7	36%	0.355	32%	0.324	S	S	.	.	H	α-helix	trans	-58.5	-49.9	175.5	-167.9	-172.7	148.2	0	0	110.4	A99 D100 H105 F106 R107 I112 V115	A99-E103 WeakPolarHBondContact O-CB 3.5Å; A99-E103 PolarHBondContact O-N 2.84Å; D100-E103 PolarHBondContact O-N 3.21Å; E103-H105 VanDerWaalsContact C-N 3.29Å; E103-H105 PolarHBondContact O-N 3.43Å; E103-F106 PolarHBondContact O-N 3.38Å; E103-R107 WeakPolarHBondContact O-CA 3.42Å; E103-R107 WeakPolarHBondContact O-CB 3.44Å; E103-R107 PolarHBondContact O-N 2.81Å; E103-I112 HydrophobicContact CB-CD1 4.32Å; E103-I112 HydrophobicContact CG-CB 4.32Å; E103-I112 HydrophobicContact CG-CD1 3.75Å; E103-I112 HydrophobicContact CG-CG2 4.46Å; E103-I112 WeakPolarHBondContact O-CD1 3.05Å; E103-V115 HydrophobicContact CB-CG2 4.25Å
104	A	94.8	Very high	93.9	Very high	69 Å²	69	62 Å²	62	57%	0.57	34%	0.34	S	S	*	.	H	α-helix	trans	-58.4	-38.9	178.7	0	0	0	0	0	113	D100 L102	D100-A104 WeakPolarHBondContact O-CB 3.46Å; D100-A104 PolarHBondContact O-N 3.28Å; L102-A104 PolarHBondContact O-N 3.32Å
105	H	94	Very high	94	Very high	46 Å²	46	61.9 Å²	61.9	21%	0.213	34%	0.34	C	S	.	.	H	α-helix	trans	-67.9	-42.4	178.4	-177.6	-78.1	0	0	0	112.4	E101 L102 E103 S108 S149 F151	E101-H105 PolarHBondContact O-N 2.89Å; E101-H105 VanDerWaalsContact O-N 3.1Å; L102-H105 PolarHBondContact O-N 3.43Å; E103-H105 VanDerWaalsContact C-N 3.29Å; E103-H105 PolarHBondContact O-N 3.43Å; H105-S108 PolarHBondContact O-OG 3.25Å; H105-S149 PolarHBondContact CE1-OG 3.45Å; H105-S149 PolarHBondContact NE2-OG 2.98Å; H105-F151 HydrophobicContact CB-CD2 4.32Å; H105-F151 HydrophobicContact CB-CE2 4.42Å; H105-F151 AromaticContact CD2-CD2 3.98Å
106	F	95.2	Very high	94	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-92	-6.9	-177	-73.5	-79.1	0	0	0	114.3	V90 L102 E103 S108 C109 I112 I132 F134 A143 L146 L156 V158	V90-F106 HydrophobicContact CG1-CE2 4.17Å; V90-F106 HydrophobicContact CG1-CZ 4.14Å; V90-F106 HydrophobicContact CG2-CE2 3.87Å; V90-F106 HydrophobicContact CG2-CZ 3.78Å; L102-F106 WeakPolarHBondContact O-CD2 3.2Å; L102-F106 PolarHBondContact O-N 2.8Å; E103-F106 PolarHBondContact O-N 3.38Å; F106-S108 PolarHBondContact O-N 3.22Å; F106-C109 WeakPolarHBondContact O-CB 3.39Å; F106-C109 PolarHBondContact O-N 3.39Å; F106-I112 HydrophobicContact CB-CD1 3.88Å; F106-I132 HydrophobicContact CB-CD1 4.12Å; F106-I132 HydrophobicContact CD1-CD1 4.46Å; F106-I132 HydrophobicContact CD2-CD1 3.14Å; F106-I132 HydrophobicContact CE2-CD1 3.57Å; F106-I132 HydrophobicContact CG-CD1 3.66Å; F106-I132 HydrophobicContact CZ-CD1 4.38Å; F106-F134 HydrophobicContact CB-CE1 4.28Å; F106-F134 HydrophobicContact CB-CZ 4.06Å; F106-F134 HydrophobicContact CD1-CZ 4.34Å; F106-F134 HydrophobicContact CG-CZ 4.48Å; F106-A143 HydrophobicContact CD1-CB 4.01Å; F106-A143 HydrophobicContact CE1-CB 4.23Å; F106-L146 HydrophobicContact CD1-CD1 4.45Å; F106-L156 HydrophobicContact CE2-CD1 4.09Å; F106-L156 HydrophobicContact CZ-CD1 4.09Å; F106-V158 HydrophobicContact CE1-CG1 4.26Å; F106-V158 HydrophobicContact CE1-CG2 4.16Å; F106-V158 HydrophobicContact CZ-CG2 3.93Å
107	R	94.6	Very high	94.1	Very high	177 Å²	177	57.8 Å²	57.8	67%	0.668	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-26.1	178.2	-175.6	171.6	-176	169.6	3.1	113.3	E103 C109 G110	E103-R107 WeakPolarHBondContact O-CA 3.42Å; E103-R107 WeakPolarHBondContact O-CB 3.44Å; E103-R107 PolarHBondContact O-N 2.81Å; R107-C109 VanDerWaalsContact C-N 3.25Å; R107-C109 PolarHBondContact O-N 3.02Å; R107-G110 PolarHBondContact O-N 2.85Å
108	S	93.1	Very high	94	Very high	102 Å²	102	59.9 Å²	59.9	71%	0.713	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-24.8	174.9	56.9	0	0	0	0	113	H105 F106	H105-S108 PolarHBondContact O-OG 3.25Å; F106-S108 PolarHBondContact O-N 3.22Å
109	C	93.8	Very high	93.9	Very high	23 Å²	23	60.1 Å²	60.1	16%	0.155	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-33.6	177.7	-56.6	0	0	0	0	112.3	F106 R107 F134 A142 A143 L146	F106-C109 WeakPolarHBondContact O-CB 3.39Å; F106-C109 PolarHBondContact O-N 3.39Å; R107-C109 VanDerWaalsContact C-N 3.25Å; R107-C109 PolarHBondContact O-N 3.02Å; C109-F134 HydrophobicContact CB-CE1 4.4Å; C109-A142 HydrophobicContact CB-CB 3.88Å; C109-A143 HydrophobicContact CB-CB 4.37Å; C109-L146 WeakPolarHBondContact SG-CD1 3.48Å
110	G	94.6	Very high	93.7	Very high	14 Å²	14	61.2 Å²	61.2	14%	0.144	33%	0.334	C	S	.	.			trans	166.9	176.4	-180	0	0	0	0	0	114.4	R107	R107-G110 PolarHBondContact O-N 2.85Å
111	P	95.2	Very high	93.3	Very high	76 Å²	76	65 Å²	65	49%	0.494	34%	0.344	S	S	.	.			trans	-65.5	131.7	175.3	27.2	-34	0	0	0	111.5	F134 D135	P111-F134 WeakPolarHBondContact O-CA 3.26Å; P111-D135 HydrophobicContact CB-CB 4.29Å; P111-D135 HydrophobicContact CG-CB 3.84Å; P111-D135 PolarHBondContact O-N 3.11Å
112	I	95.6	Very high	92.9	Very high	30 Å²	30	70.9 Å²	70.9	15%	0.154	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128	-177.1	-64.5	167.8	0	0	0	108.9	E103 F106 V115 I132 F134	E103-I112 HydrophobicContact CB-CD1 4.32Å; E103-I112 HydrophobicContact CG-CB 4.32Å; E103-I112 HydrophobicContact CG-CD1 3.75Å; E103-I112 HydrophobicContact CG-CG2 4.46Å; E103-I112 WeakPolarHBondContact O-CD1 3.05Å; F106-I112 HydrophobicContact CB-CD1 3.88Å; I112-V115 HydrophobicContact CG2-CG2 3.85Å; I112-I132 HydrophobicContact CD1-CG2 4.18Å; I112-I132 HydrophobicContact CG1-CG2 4.09Å; I112-I132 HydrophobicContact CG2-CG2 3.88Å; I112-F134 HydrophobicContact CD1-CE1 4.19Å; I112-F134 HydrophobicContact CG1-CD1 3.77Å; I112-F134 HydrophobicContact CG1-CE1 3.61Å
113	N	93.7	Very high	92.7	Very high	79 Å²	79	74.5 Å²	74.5	42%	0.422	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-43.6	174.1	-74.1	-11.9	0	0	0	111.1	E133	N113-E133 HydrophobicContact CB-CB 4.38Å; N113-E133 HydrophobicContact CB-CG 4Å; N113-E133 PolarHBondContact N-O 3.22Å; N113-E133 PolarHBondContact ND2-OE1 3.28Å
114	R	92.5	Very high	92.3	Very high	92 Å²	92	73.3 Å²	73.3	35%	0.347	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	138.1	-173.4	-172.5	174.6	174.8	-174.5	-3.4	113.3	T116 E133	R114-T116 PolarHBondContact NE-OG1 3.06Å; R114-E133 HydrophobicContact CB-CB 4.16Å; R114-E133 PolarHBondContact N-O 3.03Å; R114-E133 PolarHBondContact O-N 2.97Å
115	V	94.9	Very high	91.8	Very high	28 Å²	28	76.2 Å²	76.2	17%	0.17	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.7	167.9	-177.4	0	0	0	0	109.7	A99 L102 E103 I112 I117 I132	A99-V115 HydrophobicContact CB-CB 4.25Å; A99-V115 HydrophobicContact CB-CG1 4.19Å; L102-V115 HydrophobicContact CB-CG1 4.16Å; L102-V115 HydrophobicContact CD1-CG1 4.04Å; E103-V115 HydrophobicContact CB-CG2 4.25Å; I112-V115 HydrophobicContact CG2-CG2 3.85Å; V115-I117 HydrophobicContact CG1-CG1 4.44Å; V115-I132 HydrophobicContact CG1-CG1 4.4Å; V115-I132 HydrophobicContact CG2-CG1 4.41Å; V115-I132 HydrophobicContact CG2-CG2 4.48Å
116	T	93.2	Very high	91.5	Very high	46 Å²	46	75.4 Å²	75.4	28%	0.282	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	105.8	178.8	-57.4	0	0	0	0	110.2	R114 L118 A130 Y131	R114-T116 PolarHBondContact NE-OG1 3.06Å; T116-L118 HydrophobicContact CG2-CD1 4.08Å; T116-A130 CarbonylContact O-C 3.51Å; T116-A130 VanDerWaalsContact O-CA 3.22Å; T116-A130 WeakPolarHBondContact O-CA 3.32Å; T116-Y131 PolarHBondContact N-O 3.41Å; T116-Y131 PolarHBondContact O-N 2.91Å
117	I	93	Very high	91.2	Very high	51 Å²	51	82 Å²	82	26%	0.262	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	127	173.7	-60.7	169.9	0	0	0	108.9	A99 L102 V115 A130	A99-I117 HydrophobicContact CB-CD1 4.36Å; L102-I117 HydrophobicContact CD1-CD1 3.99Å; L102-I117 HydrophobicContact CD1-CG1 3.86Å; V115-I117 HydrophobicContact CG1-CG1 4.44Å; I117-A130 HydrophobicContact CG1-CB 4.17Å
118	L	90.5	Very high	91.2	Very high	59 Å²	59	74 Å²	74	31%	0.309	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	122.9	178.3	-81.3	87.4	0	0	0	111.6	T116 K127 F129 Y131	T116-L118 HydrophobicContact CG2-CD1 4.08Å; L118-K127 PolarHBondContact O-N 3.31Å; L118-F129 HydrophobicContact CB-CD2 3.99Å; L118-F129 HydrophobicContact CB-CE1 4.35Å; L118-F129 HydrophobicContact CB-CE2 3.39Å; L118-F129 HydrophobicContact CB-CZ 3.57Å; L118-F129 HydrophobicContact CD1-CD2 4.07Å; L118-F129 HydrophobicContact CD1-CE2 3.64Å; L118-F129 HydrophobicContact CD2-CE2 3.54Å; L118-F129 HydrophobicContact CD2-CZ 3.78Å; L118-F129 HydrophobicContact CG-CD2 4.42Å; L118-F129 HydrophobicContact CG-CE2 3.65Å; L118-F129 HydrophobicContact CG-CZ 4.12Å; L118-F129 PolarHBondContact N-O 3.39Å; L118-Y131 HydrophobicContact CD1-CD2 3.4Å; L118-Y131 HydrophobicContact CD1-CE2 3.45Å; L118-Y131 VanDerWaalsContact CD1-CE2 3.45Å; L118-Y131 HydrophobicContact CD2-CE2 4.39Å
119	C	90	Very high	91.2	Very high	69 Å²	69	70.3 Å²	70.3	47%	0.466	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	149.9	171.9	-57.3	0	0	0	0	111.2	K121	C119-K121 PolarHBondContact O-N 3.15Å
120	N	89.5	Confident	91.3	Very high	59 Å²	59	69.2 Å²	69.2	32%	0.316	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-65.6	126.1	172.3	-175.9	-8.7	0	0	0	109.4	F122 T123 G124 H125	N120-F122 PolarHBondContact O-N 3.24Å; N120-F122 WeakPolarHBondContact OD1-CD2 3.35Å; N120-F122 PolarHBondContact OD1-N 3.43Å; N120-F122 VanDerWaalsContact OD1-N 3.15Å; N120-T123 WeakPolarHBondContact CB-OG1 3.44Å; N120-T123 PolarHBondContact ND2-OG1 2.94Å; N120-G124 VanDerWaalsContact O-CA 3.25Å; N120-G124 WeakPolarHBondContact O-CA 3.47Å; N120-G124 PolarHBondContact O-N 2.89Å; N120-H125 WeakPolarHBondContact CB-O 3.42Å; N120-H125 PolarHBondContact N-O 2.81Å
121	K	87.1	Confident	91.4	Very high	198 Å²	198	71.8 Å²	71.8	86%	0.861	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-26.3	-176.8	-60.6	179.3	-178.7	-175.9	0	113.4	C119	C119-K121 PolarHBondContact O-N 3.15Å
122	F	86.9	Confident	91.4	Very high	194 Å²	194	68.2 Å²	68.2	85%	0.851	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-40.2	-175.6	-57.1	-71.9	0	0	0	112.9	N120	N120-F122 PolarHBondContact O-N 3.24Å; N120-F122 WeakPolarHBondContact OD1-CD2 3.35Å; N120-F122 PolarHBondContact OD1-N 3.43Å; N120-F122 VanDerWaalsContact OD1-N 3.15Å
123	T	89.4	Confident	91.4	Very high	77 Å²	77	68.4 Å²	68.4	47%	0.472	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-13.9	-176.4	59.9	0	0	0	0	113.4	N120 H125	N120-T123 WeakPolarHBondContact CB-OG1 3.44Å; N120-T123 PolarHBondContact ND2-OG1 2.94Å; T123-H125 PolarHBondContact O-N 3.11Å; T123-H125 PolarHBondContact OG1-N 3.4Å
124	G	87	Confident	91.5	Very high	51 Å²	51	64.7 Å²	64.7	53%	0.526	33%	0.328	S	S	.	.			trans	70.1	-11.7	-170.3	0	0	0	0	0	114	N120	N120-G124 VanDerWaalsContact O-CA 3.25Å; N120-G124 WeakPolarHBondContact O-CA 3.47Å; N120-G124 PolarHBondContact O-N 2.89Å
125	H	84.5	Confident	91.6	Very high	129 Å²	129	64.1 Å²	64.1	60%	0.597	33%	0.332	S	S	*	.			trans	-67.1	137.4	-179.6	-64.5	-49.8	0	0	0	111.2	N120 T123 K127	N120-H125 WeakPolarHBondContact CB-O 3.42Å; N120-H125 PolarHBondContact N-O 2.81Å; T123-H125 PolarHBondContact O-N 3.11Å; T123-H125 PolarHBondContact OG1-N 3.4Å; H125-K127 PolarHBondContact O-N 3.39Å
126	P	87.3	Confident	91.6	Very high	30 Å²	30	65.5 Å²	65.5	20%	0.195	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	137.4	175.8	16.2	-20.7	0	0	0	110.1	Y95 G128	Y95-P126 HydrophobicContact CD1-CB 4.5Å; Y95-P126 HydrophobicContact CD1-CG 4.24Å; Y95-P126 WeakPolarHBondContact CD1-O 2.96Å; Y95-P126 WeakPolarHBondContact CE1-O 3.38Å; Y95-P126 WeakPolarHBondContact O-CG 3.31Å; P126-G128 PolarHBondContact O-N 3.49Å
127	K	90	Very high	91.6	Very high	139 Å²	139	69.8 Å²	69.8	60%	0.604	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	-5.2	-176	-167.1	164.1	155	-146.7	0	112.6	L118 H125 F129	L118-K127 PolarHBondContact O-N 3.31Å; H125-K127 PolarHBondContact O-N 3.39Å; K127-F129 HydrophobicContact CB-CD1 3.85Å; K127-F129 HydrophobicContact CB-CE1 3.56Å; K127-F129 HydrophobicContact CB-CZ 4.46Å; K127-F129 HydrophobicContact CD-CD1 4.28Å; K127-F129 HydrophobicContact CD-CE1 3.36Å; K127-F129 HydrophobicContact CD-CZ 4.12Å; K127-F129 HydrophobicContact CG-CD1 3.84Å; K127-F129 HydrophobicContact CG-CE1 3.41Å; K127-F129 VanDerWaalsContact CG-CE1 3.41Å; K127-F129 HydrophobicContact CG-CZ 4.5Å
128	G	92.8	Very high	91.7	Very high	8 Å²	8	73 Å²	73	8%	0.082	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	82.2	28.9	-179	0	0	0	0	0	113.7	N92 V93 P126	N92-G128 PolarHBondContact N-O 3.15Å; V93-G128 PolarHBondContact N-O 2.96Å; V93-G128 VanDerWaalsContact O-CA 3.3Å; V93-G128 WeakPolarHBondContact O-CA 3.37Å; P126-G128 PolarHBondContact O-N 3.49Å
129	F	94.5	Very high	91.9	Very high	25 Å²	25	70.2 Å²	70.2	11%	0.11	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	155.4	169.6	67.5	-92.9	0	0	0	112.9	Y89 V90 L118 K127 Y131	Y89-F129 HydrophobicContact CE2-CB 3.69Å; Y89-F129 AromaticContact CE2-CD2 3.98Å; Y89-F129 HydrophobicContact CE2-CD2 3.98Å; Y89-F129 HydrophobicContact CE2-CG 4Å; V90-F129 CarbonylContact O-C 3.48Å; V90-F129 WeakPolarHBondContact O-CA 3.25Å; V90-F129 VanDerWaalsContact O-CB 3.29Å; V90-F129 WeakPolarHBondContact O-CB 2.96Å; L118-F129 HydrophobicContact CB-CD2 3.99Å; L118-F129 HydrophobicContact CB-CE1 4.35Å; L118-F129 HydrophobicContact CB-CE2 3.39Å; L118-F129 HydrophobicContact CB-CZ 3.57Å; L118-F129 HydrophobicContact CD1-CD2 4.07Å; L118-F129 HydrophobicContact CD1-CE2 3.64Å; L118-F129 HydrophobicContact CD2-CE2 3.54Å; L118-F129 HydrophobicContact CD2-CZ 3.78Å; L118-F129 HydrophobicContact CG-CD2 4.42Å; L118-F129 HydrophobicContact CG-CE2 3.65Å; L118-F129 HydrophobicContact CG-CZ 4.12Å; L118-F129 PolarHBondContact N-O 3.39Å; K127-F129 HydrophobicContact CB-CD1 3.85Å; K127-F129 HydrophobicContact CB-CE1 3.56Å; K127-F129 HydrophobicContact CB-CZ 4.46Å; K127-F129 HydrophobicContact CD-CD1 4.28Å; K127-F129 HydrophobicContact CD-CE1 3.36Å; K127-F129 HydrophobicContact CD-CZ 4.12Å; K127-F129 HydrophobicContact CG-CD1 3.84Å; K127-F129 HydrophobicContact CG-CE1 3.41Å; K127-F129 VanDerWaalsContact CG-CE1 3.41Å; K127-F129 HydrophobicContact CG-CZ 4.5Å; F129-Y131 HydrophobicContact CD2-CE2 4.43Å; F129-Y131 HydrophobicContact CE2-CE2 4.15Å
130	A	95.4	Very high	92.2	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	160.5	179.7	0	0	0	0	0	111.3	V90 V93 L102 T116 I117	V90-A130 PolarHBondContact N-O 3.3Å; V90-A130 PolarHBondContact O-N 3.42Å; V93-A130 HydrophobicContact CG2-CB 4.48Å; L102-A130 HydrophobicContact CD1-CB 3.71Å; T116-A130 CarbonylContact O-C 3.51Å; T116-A130 VanDerWaalsContact O-CA 3.22Å; T116-A130 WeakPolarHBondContact O-CA 3.32Å; I117-A130 HydrophobicContact CG1-CB 4.17Å
131	Y	95.8	Very high	92.4	Very high	68 Å²	68	71.5 Å²	71.5	27%	0.267	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136.4	165.6	-61.7	-70	0	0	0	109.6	V88 Y89 T116 L118 F129 K161	V88-Y131 VanDerWaalsContact O-CA 3.31Å; V88-Y131 WeakPolarHBondContact O-CA 3.12Å; Y89-Y131 HydrophobicContact CD2-CD1 4.34Å; Y89-Y131 AromaticContact CD2-CE1 3.69Å; Y89-Y131 HydrophobicContact CD2-CE1 3.69Å; Y89-Y131 HydrophobicContact CG-CE1 4.39Å; T116-Y131 PolarHBondContact N-O 3.41Å; T116-Y131 PolarHBondContact O-N 2.91Å; L118-Y131 HydrophobicContact CD1-CD2 3.4Å; L118-Y131 HydrophobicContact CD1-CE2 3.45Å; L118-Y131 VanDerWaalsContact CD1-CE2 3.45Å; L118-Y131 HydrophobicContact CD2-CE2 4.39Å; F129-Y131 HydrophobicContact CD2-CE2 4.43Å; F129-Y131 HydrophobicContact CE2-CE2 4.15Å; Y131-K161 HydrophobicContact CD1-CD 3.93Å; Y131-K161 HydrophobicContact CD1-CG 3.97Å; Y131-K161 HydrophobicContact CE1-CD 4.33Å; Y131-K161 HydrophobicContact CE1-CG 4.01Å; Y131-K161 HydrophobicContact CG-CD 4.48Å
132	I	95.7	Very high	92.8	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	122.9	177.1	-57.3	179.6	0	0	0	107.4	S87 V88 V90 F106 I112 V115 F134	S87-I132 CarbonylContact C-O 3.5Å; S87-I132 WeakPolarHBondContact CA-O 3.41Å; V88-I132 PolarHBondContact N-O 3.43Å; V88-I132 PolarHBondContact O-N 3.25Å; V90-I132 HydrophobicContact CG2-CD1 3.78Å; V90-I132 HydrophobicContact CG2-CG1 4.16Å; F106-I132 HydrophobicContact CB-CD1 4.12Å; F106-I132 HydrophobicContact CD1-CD1 4.46Å; F106-I132 HydrophobicContact CD2-CD1 3.14Å; F106-I132 HydrophobicContact CE2-CD1 3.57Å; F106-I132 HydrophobicContact CG-CD1 3.66Å; F106-I132 HydrophobicContact CZ-CD1 4.38Å; I112-I132 HydrophobicContact CD1-CG2 4.18Å; I112-I132 HydrophobicContact CG1-CG2 4.09Å; I112-I132 HydrophobicContact CG2-CG2 3.88Å; V115-I132 HydrophobicContact CG1-CG1 4.4Å; V115-I132 HydrophobicContact CG2-CG1 4.41Å; V115-I132 HydrophobicContact CG2-CG2 4.48Å; I132-F134 HydrophobicContact CB-CE2 4.34Å; I132-F134 HydrophobicContact CG2-CD2 4.37Å; I132-F134 HydrophobicContact CG2-CE1 4.11Å; I132-F134 HydrophobicContact CG2-CE2 3.88Å; I132-F134 HydrophobicContact CG2-CZ 3.74Å
133	E	95.5	Very high	93.2	Very high	35 Å²	35	54.7 Å²	54.7	16%	0.164	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	121.6	174.4	-177.3	-170	151	0	0	108.6	V83 N113 R114	V83-E133 HydrophobicContact CG1-CG 4.03Å; N113-E133 HydrophobicContact CB-CB 4.38Å; N113-E133 HydrophobicContact CB-CG 4Å; N113-E133 PolarHBondContact N-O 3.22Å; N113-E133 PolarHBondContact ND2-OE1 3.28Å; R114-E133 HydrophobicContact CB-CB 4.16Å; R114-E133 PolarHBondContact N-O 3.03Å; R114-E133 PolarHBondContact O-N 2.97Å
134	F	96.6	Very high	93.5	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	160.2	174.2	-65.3	-80.1	0	0	0	111.3	R86 V88 F106 C109 P111 I112 I132 A139 V140 A143	R86-F134 WeakPolarHBondContact CB-O 3.36Å; R86-F134 PolarHBondContact O-N 3.39Å; V88-F134 HydrophobicContact CB-CE2 4.09Å; V88-F134 HydrophobicContact CG2-CD2 4.14Å; V88-F134 HydrophobicContact CG2-CE2 3.67Å; F106-F134 HydrophobicContact CB-CE1 4.28Å; F106-F134 HydrophobicContact CB-CZ 4.06Å; F106-F134 HydrophobicContact CD1-CZ 4.34Å; F106-F134 HydrophobicContact CG-CZ 4.48Å; C109-F134 HydrophobicContact CB-CE1 4.4Å; P111-F134 WeakPolarHBondContact O-CA 3.26Å; I112-F134 HydrophobicContact CD1-CE1 4.19Å; I112-F134 HydrophobicContact CG1-CD1 3.77Å; I112-F134 HydrophobicContact CG1-CE1 3.61Å; I132-F134 HydrophobicContact CB-CE2 4.34Å; I132-F134 HydrophobicContact CG2-CD2 4.37Å; I132-F134 HydrophobicContact CG2-CE1 4.11Å; I132-F134 HydrophobicContact CG2-CE2 3.88Å; I132-F134 HydrophobicContact CG2-CZ 3.74Å; F134-A139 HydrophobicContact CB-CB 3.72Å; F134-A139 HydrophobicContact CD1-CB 3.62Å; F134-A139 HydrophobicContact CD2-CB 4.38Å; F134-A139 HydrophobicContact CE1-CB 4.31Å; F134-A139 HydrophobicContact CG-CB 3.66Å; F134-V140 HydrophobicContact CD2-CG2 4.12Å; F134-A143 HydrophobicContact CE2-CB 3.78Å; F134-A143 HydrophobicContact CZ-CB 3.76Å
135	D	94.3	Very high	93.9	Very high	81 Å²	81	55.5 Å²	55.5	43%	0.433	29%	0.287	S	S	.	.	S	Bend	trans	-74.6	-34	173.7	-162.2	26.7	0	0	0	112.1	R86 P111	R86-D135 WeakPolarHBondContact CD-O 3.29Å; R86-D135 PolarHBondContact NH1-O 2.98Å; R86-D135 IonicContact NH1-OD1 2.79Å; R86-D135 PolarHBondContact NH1-OD1 2.8Å; P111-D135 HydrophobicContact CB-CB 4.29Å; P111-D135 HydrophobicContact CG-CB 3.84Å; P111-D135 PolarHBondContact O-N 3.11Å
136	T	94.1	Very high	94.3	Very high	57 Å²	57	51.9 Å²	51.9	35%	0.35	27%	0.272	S	S	.	.	S	Bend	trans	-115.1	154.4	-178.1	61.5	0	0	0	0	112.1	A139	T136-A139 WeakPolarHBondContact OG1-CB 3.43Å; T136-A139 PolarHBondContact OG1-N 2.9Å
137	R	93.4	Very high	94.6	Very high	135 Å²	135	53.6 Å²	53.6	51%	0.509	28%	0.279	S	S	.	.	S	Bend	trans	-70.7	-34.2	173	-67.1	179.9	-175.4	172.7	3.1	111.5	R86 A139 V140 E141	R86-R137 HydrophobicContact CG-CG 3.69Å; R137-A139 PolarHBondContact O-N 3.33Å; R137-V140 WeakPolarHBondContact O-CA 3.41Å; R137-V140 WeakPolarHBondContact O-CB 3.28Å; R137-V140 PolarHBondContact O-N 3.46Å; R137-E141 PolarHBondContact O-N 2.93Å
138	D	94.8	Very high	94.8	Very high	119 Å²	119	51.6 Å²	51.6	64%	0.636	28%	0.275	S	S	*	.	H	α-helix	trans	-59.8	-34	178.6	-52.8	-14.4	0	0	0	112.1	V140 E141 A142	D138-V140 PolarHBondContact O-N 3.41Å; D138-E141 PolarHBondContact O-N 3.38Å; D138-A142 PolarHBondContact O-N 3.49Å
139	A	95.3	Very high	94.8	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-64.8	-28.2	175.3	0	0	0	0	0	112.8	F134 T136 R137 A143	F134-A139 HydrophobicContact CB-CB 3.72Å; F134-A139 HydrophobicContact CD1-CB 3.62Å; F134-A139 HydrophobicContact CD2-CB 4.38Å; F134-A139 HydrophobicContact CE1-CB 4.31Å; F134-A139 HydrophobicContact CG-CB 3.66Å; T136-A139 WeakPolarHBondContact OG1-CB 3.43Å; T136-A139 PolarHBondContact OG1-N 2.9Å; R137-A139 PolarHBondContact O-N 3.33Å; A139-A143 VanDerWaalsContact O-CB 3.26Å; A139-A143 WeakPolarHBondContact O-CB 3.26Å; A139-A143 PolarHBondContact O-N 3.34Å
140	V	95.4	Very high	94.7	Very high	11 Å²	11	55.8 Å²	55.8	7%	0.067	31%	0.306	C	S	.	.	H	α-helix	trans	-66.1	-44.9	173.7	178.8	0	0	0	0	110.1	R86 V88 F134 R137 D138 A143 I144	R86-V140 VanDerWaalsContact C-CG2 3.44Å; R86-V140 WeakPolarHBondContact O-CG2 3.49Å; V88-V140 HydrophobicContact CG2-CB 4.1Å; V88-V140 HydrophobicContact CG2-CG1 3.62Å; V88-V140 HydrophobicContact CG2-CG2 4.22Å; F134-V140 HydrophobicContact CD2-CG2 4.12Å; R137-V140 WeakPolarHBondContact O-CA 3.41Å; R137-V140 WeakPolarHBondContact O-CB 3.28Å; R137-V140 PolarHBondContact O-N 3.46Å; D138-V140 PolarHBondContact O-N 3.41Å; V140-A143 PolarHBondContact O-N 2.86Å; V140-I144 HydrophobicContact CG1-CD1 4.03Å; V140-I144 VanDerWaalsContact O-CG1 3.27Å; V140-I144 WeakPolarHBondContact O-CG1 3.31Å; V140-I144 PolarHBondContact O-N 3.36Å
141	E	95.5	Very high	94.6	Very high	143 Å²	143	56.6 Å²	56.6	67%	0.668	31%	0.31	S	S	*	.	H	α-helix	trans	-64.1	-43.5	178.3	-61.4	-173.5	172.6	0	0	111.3	R137 D138 A143 I144 A145	R137-E141 PolarHBondContact O-N 2.93Å; D138-E141 PolarHBondContact O-N 3.38Å; E141-A143 VanDerWaalsContact C-N 3.32Å; E141-A143 PolarHBondContact O-N 3.35Å; E141-I144 PolarHBondContact O-N 3.47Å; E141-A145 PolarHBondContact O-N 2.93Å; E141-A145 VanDerWaalsContact O-N 3.11Å
142	A	95.5	Very high	94.4	Very high	39 Å²	39	58.6 Å²	58.6	32%	0.322	32%	0.317	S	S	.	.	H	α-helix	trans	-63	-36.9	174.2	0	0	0	0	0	112.6	C109 D138 A145	C109-A142 HydrophobicContact CB-CB 3.88Å; D138-A142 PolarHBondContact O-N 3.49Å; A142-A145 WeakPolarHBondContact O-CB 3.3Å; A142-A145 PolarHBondContact O-N 2.93Å
143	A	95.4	Very high	94.1	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-69.1	-38.5	175.8	0	0	0	0	0	112.1	V88 F106 C109 F134 A139 V140 E141 A145 L146 V158	V88-A143 HydrophobicContact CG2-CB 4.02Å; F106-A143 HydrophobicContact CD1-CB 4.01Å; F106-A143 HydrophobicContact CE1-CB 4.23Å; C109-A143 HydrophobicContact CB-CB 4.37Å; F134-A143 HydrophobicContact CE2-CB 3.78Å; F134-A143 HydrophobicContact CZ-CB 3.76Å; A139-A143 VanDerWaalsContact O-CB 3.26Å; A139-A143 WeakPolarHBondContact O-CB 3.26Å; A139-A143 PolarHBondContact O-N 3.34Å; V140-A143 PolarHBondContact O-N 2.86Å; E141-A143 VanDerWaalsContact C-N 3.32Å; E141-A143 PolarHBondContact O-N 3.35Å; A143-A145 PolarHBondContact O-N 3.35Å; A143-L146 WeakPolarHBondContact O-CA 3.46Å; A143-L146 WeakPolarHBondContact O-CB 3.42Å; A143-L146 PolarHBondContact O-N 3.17Å; A143-V158 VanDerWaalsContact O-CG1 3.31Å; A143-V158 WeakPolarHBondContact O-CG1 3.37Å
144	I	95.4	Very high	94	Very high	63 Å²	63	66 Å²	66	32%	0.323	36%	0.363	S	S	.	.	H	α-helix	trans	-62.1	-33.4	173.8	-67.8	162.8	0	0	0	110.8	V140 E141 L146 D147 P160	V140-I144 HydrophobicContact CG1-CD1 4.03Å; V140-I144 VanDerWaalsContact O-CG1 3.27Å; V140-I144 WeakPolarHBondContact O-CG1 3.31Å; V140-I144 PolarHBondContact O-N 3.36Å; E141-I144 PolarHBondContact O-N 3.47Å; I144-L146 PolarHBondContact O-N 3.42Å; I144-D147 WeakPolarHBondContact O-CB 3.23Å; I144-D147 PolarHBondContact O-N 2.9Å; I144-P160 HydrophobicContact CD1-CB 4.16Å; I144-P160 HydrophobicContact CD1-CG 4.22Å
145	A	94.9	Very high	94	Very high	83 Å²	83	71.9 Å²	71.9	69%	0.686	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-16	174	0	0	0	0	0	113.8	E141 A142 A143 D147	E141-A145 PolarHBondContact O-N 2.93Å; E141-A145 VanDerWaalsContact O-N 3.11Å; A142-A145 WeakPolarHBondContact O-CB 3.3Å; A142-A145 PolarHBondContact O-N 2.93Å; A143-A145 PolarHBondContact O-N 3.35Å; A145-D147 VanDerWaalsContact C-N 3.31Å
146	L	92.5	Very high	94.1	Very high	53 Å²	53	68 Å²	68	28%	0.277	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	17.2	170.7	-63.5	-175.6	0	0	0	113.2	F106 C109 A143 I144 S149	F106-L146 HydrophobicContact CD1-CD1 4.45Å; C109-L146 WeakPolarHBondContact SG-CD1 3.48Å; A143-L146 WeakPolarHBondContact O-CA 3.46Å; A143-L146 WeakPolarHBondContact O-CB 3.42Å; A143-L146 PolarHBondContact O-N 3.17Å; I144-L146 PolarHBondContact O-N 3.42Å; L146-S149 VanDerWaalsContact O-CB 3.28Å; L146-S149 WeakPolarHBondContact O-CB 3.42Å; L146-S149 PolarHBondContact O-N 3.34Å; L146-S149 PolarHBondContact O-OG 3.35Å
147	D	94.1	Very high	94.2	Very high	65 Å²	65	70.7 Å²	70.7	35%	0.348	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	142.5	168.3	-164.6	30.7	0	0	0	110.4	I144 A145 S149 K157 V158	I144-D147 WeakPolarHBondContact O-CB 3.23Å; I144-D147 PolarHBondContact O-N 2.9Å; A145-D147 VanDerWaalsContact C-N 3.31Å; D147-S149 PolarHBondContact O-N 2.94Å; D147-K157 WeakPolarHBondContact OD1-CA 3.47Å; D147-V158 HydrophobicContact CB-CB 4.31Å; D147-V158 PolarHBondContact OD1-N 3.08Å
148	D	93.1	Very high	94.3	Very high	97 Å²	97	64.3 Å²	64.3	52%	0.519	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	14.1	-173.4	-61.6	-39.8	0	0	0	116.4	L156	D148-L156 VanDerWaalsContact CA-O 3.24Å; D148-L156 WeakPolarHBondContact CA-O 3.49Å; D148-L156 PolarHBondContact N-O 3.31Å
149	S	93.3	Very high	94.4	Very high	22 Å²	22	62.1 Å²	62.1	15%	0.154	34%	0.34	C	S	.	.			trans	-62.7	145.6	173.7	80.6	0	0	0	0	112.1	H105 L146 D147 F151 Q155 L156	H105-S149 PolarHBondContact CE1-OG 3.45Å; H105-S149 PolarHBondContact NE2-OG 2.98Å; L146-S149 VanDerWaalsContact O-CB 3.28Å; L146-S149 WeakPolarHBondContact O-CB 3.42Å; L146-S149 PolarHBondContact O-N 3.34Å; L146-S149 PolarHBondContact O-OG 3.35Å; D147-S149 PolarHBondContact O-N 2.94Å; S149-F151 PolarHBondContact O-N 3.43Å; S149-Q155 WeakPolarHBondContact O-CA 3.47Å; S149-L156 PolarHBondContact O-N 3.13Å
150	S	92.5	Very high	94.4	Very high	99 Å²	99	65.5 Å²	65.5	69%	0.692	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	117.5	179.1	61.1	0	0	0	0	111.6
151	F	93	Very high	94.3	Very high	18 Å²	18	67.2 Å²	67.2	8%	0.079	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	121.2	175.2	-179.8	-98.3	0	0	0	109.9	V93 E101 L102 H105 S149 S153 R154 L156	V93-F151 HydrophobicContact CG1-CE1 4.48Å; E101-F151 HydrophobicContact CB-CE2 4.11Å; E101-F151 HydrophobicContact CB-CZ 3.87Å; L102-F151 HydrophobicContact CD2-CE1 4.14Å; L102-F151 HydrophobicContact CD2-CE2 4.42Å; L102-F151 HydrophobicContact CD2-CZ 4Å; L102-F151 HydrophobicContact CG-CZ 4.49Å; H105-F151 HydrophobicContact CB-CD2 4.32Å; H105-F151 HydrophobicContact CB-CE2 4.42Å; H105-F151 AromaticContact CD2-CD2 3.98Å; S149-F151 PolarHBondContact O-N 3.43Å; F151-S153 PolarHBondContact O-N 3.46Å; F151-R154 PolarHBondContact N-O 3.45Å; F151-R154 PolarHBondContact O-N 2.9Å; F151-L156 HydrophobicContact CB-CD1 3.61Å; F151-L156 HydrophobicContact CB-CD2 3.84Å; F151-L156 HydrophobicContact CB-CG 3.59Å; F151-L156 HydrophobicContact CD1-CD2 4.04Å; F151-L156 HydrophobicContact CG-CD1 4.06Å; F151-L156 HydrophobicContact CG-CD2 4.22Å; F151-L156 HydrophobicContact CG-CG 4.34Å
152	R	91.8	Very high	94	Very high	110 Å²	110	69.4 Å²	69.4	42%	0.415	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.5	45.4	-177.9	-62.3	174.1	68.1	109.9	2	112.9	D94 G96 E101 R154	D94-R152 HydrophobicContact CB-CB 4.07Å; D94-R152 IonicContact OD2-CZ 3.15Å; D94-R152 IonicContact OD2-NE 3.46Å; D94-R152 PolarHBondContact OD2-NE 3.06Å; D94-R152 IonicContact OD2-NH2 2.94Å; D94-R152 PolarHBondContact OD2-NH2 3Å; G96-R152 PolarHBondContact O-NH1 2.95Å; E101-R152 VanDerWaalsContact CD-NH1 3.28Å; E101-R152 IonicContact OE1-NH1 3.21Å; E101-R152 PolarHBondContact OE1-NH1 3.17Å; E101-R152 WeakPolarHBondContact OE2-CD 3.5Å; E101-R152 IonicContact OE2-CZ 2.8Å; E101-R152 IonicContact OE2-NE 3.54Å; E101-R152 IonicContact OE2-NH1 3.97Å; E101-R152 PolarHBondContact OE2-NH1 3.27Å; R152-R154 PolarHBondContact O-N 3.27Å
153	S	90.8	Very high	93.5	Very high	131 Å²	131	70.2 Å²	70.2	92%	0.916	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	17.2	-178.2	-51	0	0	0	0	115.7	F151	F151-S153 PolarHBondContact O-N 3.46Å
154	R	93.3	Very high	92.7	Very high	59 Å²	59	77.1 Å²	77.1	22%	0.223	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	145.4	174.4	-62	171.8	68.2	156	1	109.4	N92 D94 F151 R152	N92-R154 PolarHBondContact O-NE 3.33Å; N92-R154 PolarHBondContact OD1-NH2 2.81Å; D94-R154 IonicContact OD1-NH1 2.63Å; F151-R154 PolarHBondContact N-O 3.45Å; F151-R154 PolarHBondContact O-N 2.9Å; R152-R154 PolarHBondContact O-N 3.27Å
155	Q	95.7	Very high	91.8	Very high	124 Å²	124	77 Å²	77	58%	0.579	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	125.2	172.7	-71.3	174.7	-31.5	0	0	109.4	N92 S149	N92-Q155 PolarHBondContact ND2-O 3.38Å; S149-Q155 WeakPolarHBondContact O-CA 3.47Å
156	L	96	Very high	90.9	Very high	0 Å²	0	78.6 Å²	78.6	0%	0	41%	0.414	C	S	.	.			trans	-76.3	145.8	176.3	-62.8	-177.7	0	0	0	110.2	V90 V93 F106 D148 S149 F151 V158	V90-L156 HydrophobicContact CG1-CB 4.28Å; V90-L156 HydrophobicContact CG1-CD1 4.08Å; V90-L156 HydrophobicContact CG1-CD2 4.13Å; V90-L156 HydrophobicContact CG1-CG 4.4Å; V93-L156 HydrophobicContact CG2-CD2 4.18Å; F106-L156 HydrophobicContact CE2-CD1 4.09Å; F106-L156 HydrophobicContact CZ-CD1 4.09Å; D148-L156 VanDerWaalsContact CA-O 3.24Å; D148-L156 WeakPolarHBondContact CA-O 3.49Å; D148-L156 PolarHBondContact N-O 3.31Å; S149-L156 PolarHBondContact O-N 3.13Å; F151-L156 HydrophobicContact CB-CD1 3.61Å; F151-L156 HydrophobicContact CB-CD2 3.84Å; F151-L156 HydrophobicContact CB-CG 3.59Å; F151-L156 HydrophobicContact CD1-CD2 4.04Å; F151-L156 HydrophobicContact CG-CD1 4.06Å; F151-L156 HydrophobicContact CG-CD2 4.22Å; F151-L156 HydrophobicContact CG-CG 4.34Å; L156-V158 HydrophobicContact CB-CG2 4.21Å
157	K	96.6	Very high	90	Very high	113 Å²	113	80 Å²	80	49%	0.491	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	113.1	169.6	-178.8	167.5	-175.5	164.4	0	109.5	V90 G91 D147 L159	V90-K157 CarbonylContact C-O 3.56Å; V90-K157 WeakPolarHBondContact CA-O 3.42Å; G91-K157 PolarHBondContact N-O 2.95Å; G91-K157 PolarHBondContact O-N 3.24Å; D147-K157 WeakPolarHBondContact OD1-CA 3.47Å; K157-L159 HydrophobicContact CG-CG 4.44Å
158	V	96.6	Very high	88.6	Confident	0 Å²	0	83 Å²	83	0%	0	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	117.8	-172.4	-168.7	0	0	0	0	110	V88 Y89 F106 A143 D147 L156	V88-V158 HydrophobicContact CG1-CG1 3.23Å; Y89-V158 WeakPolarHBondContact O-CA 3.48Å; F106-V158 HydrophobicContact CE1-CG1 4.26Å; F106-V158 HydrophobicContact CE1-CG2 4.16Å; F106-V158 HydrophobicContact CZ-CG2 3.93Å; A143-V158 VanDerWaalsContact O-CG1 3.31Å; A143-V158 WeakPolarHBondContact O-CG1 3.37Å; D147-V158 HydrophobicContact CB-CB 4.31Å; D147-V158 PolarHBondContact OD1-N 3.08Å; L156-V158 HydrophobicContact CB-CG2 4.21Å
159	L	95.7	Very high	87.2	Confident	73 Å²	73	81.7 Å²	81.7	38%	0.382	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	152.2	-179.1	-66.1	176.6	0	0	0	110.7	V88 Y89 K157 K161	V88-L159 WeakPolarHBondContact CG1-O 3.35Å; Y89-L159 WeakPolarHBondContact CA-O 3.31Å; Y89-L159 WeakPolarHBondContact CB-O 3.43Å; Y89-L159 HydrophobicContact CD1-CB 4.24Å; Y89-L159 PolarHBondContact N-O 3.15Å; Y89-L159 PolarHBondContact O-N 3.18Å; K157-L159 HydrophobicContact CG-CG 4.44Å; L159-K161 PolarHBondContact O-N 3.18Å
160	P	95	Very high	85.8	Confident	72 Å²	72	87.6 Å²	87.6	47%	0.468	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	140.1	171	25	-32.8	0	0	0	110.9	I144	I144-P160 HydrophobicContact CD1-CB 4.16Å; I144-P160 HydrophobicContact CD1-CG 4.22Å
161	K	94.1	Very high	84.5	Confident	47 Å²	47	86.4 Å²	86.4	20%	0.204	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-67.9	136.6	177.3	-173.5	-176.3	-179.9	-166.9	0	109.7	D84 S87 Y131 L159	D84-K161 HydrophobicContact CB-CD 4.38Å; D84-K161 WeakPolarHBondContact OD1-CE 3.22Å; D84-K161 IonicContact OD1-NZ 2.81Å; D84-K161 PolarHBondContact OD1-NZ 3.2Å; S87-K161 WeakPolarHBondContact O-CB 3.49Å; S87-K161 PolarHBondContact O-N 2.93Å; Y131-K161 HydrophobicContact CD1-CD 3.93Å; Y131-K161 HydrophobicContact CD1-CG 3.97Å; Y131-K161 HydrophobicContact CE1-CD 4.33Å; Y131-K161 HydrophobicContact CE1-CG 4.01Å; Y131-K161 HydrophobicContact CG-CD 4.48Å; L159-K161 PolarHBondContact O-N 3.18Å
162	R	88.4	Confident	83	Confident	190 Å²	190	93.2 Å²	93.2	72%	0.717	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-84	135.4	174.8	-64.6	177.6	64.3	-166.6	-0.8	110.1
163	T	85.9	Confident	81.8	Confident	55 Å²	55	94 Å²	94	34%	0.337	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-67.8	135.8	168.3	54	0	0	0	0	109.7	T81 D84 V165	T81-T163 HydrophobicContact CG2-CG2 4.15Å; D84-T163 HydrophobicContact CB-CG2 3.73Å; T163-V165 PolarHBondContact O-N 2.96Å; T163-V165 VanDerWaalsContact O-N 3.15Å
164	N	78.5	Confident	80.4	Confident	145 Å²	145	94.6 Å²	94.6	78%	0.775	51%	0.507	S	S	*	.			trans	-81.6	93.6	176.6	-176.3	10.2	0	0	0	109.8	P166	N164-P166 WeakPolarHBondContact O-CD 3.47Å
165	V	77.2	Confident	78.9	Confident	60 Å²	60	97 Å²	97	36%	0.364	53%	0.53	S	S	.	.			trans	-92.6	109.2	172.2	-171	0	0	0	0	109.3	T163 G167 M168	T163-V165 PolarHBondContact O-N 2.96Å; T163-V165 VanDerWaalsContact O-N 3.15Å; V165-G167 PolarHBondContact O-N 3.49Å; V165-M168 HydrophobicContact CB-CB 4.34Å; V165-M168 HydrophobicContact CB-CE 4.07Å; V165-M168 HydrophobicContact CB-CG 3.94Å; V165-M168 HydrophobicContact CB-SD 3.48Å; V165-M168 WeakPolarHBondContact CB-SD 3.46Å; V165-M168 HydrophobicContact CG1-CE 3.57Å; V165-M168 HydrophobicContact CG1-CG 3.85Å; V165-M168 HydrophobicContact CG1-SD 3.64Å; V165-M168 HydrophobicContact CG2-CE 4.21Å; V165-M168 HydrophobicContact CG2-SD 3.78Å; V165-M168 PolarHBondContact O-N 3.1Å
166	P	75	Confident	77.1	Confident	117 Å²	117	100.4 Å²	100.4	76%	0.76	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	130.5	179.1	25.4	-32.8	0	0	0	110	N164	N164-P166 WeakPolarHBondContact O-CD 3.47Å
167	G	72.9	Confident	75	Confident	82 Å²	82	105.6 Å²	105.6	85%	0.845	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	93	-6.7	178.7	0	0	0	0	0	116	V165 S169	V165-G167 PolarHBondContact O-N 3.49Å; G167-S169 PolarHBondContact O-N 3.17Å
168	M	66	Low	72.8	Confident	130 Å²	130	112.3 Å²	112.3	64%	0.64	60%	0.597	S	S	*	*			trans	-81	81.7	171.5	-74.7	-176.6	-177.6	0	0	111.2	V165	V165-M168 HydrophobicContact CB-CB 4.34Å; V165-M168 HydrophobicContact CB-CE 4.07Å; V165-M168 HydrophobicContact CB-CG 3.94Å; V165-M168 HydrophobicContact CB-SD 3.48Å; V165-M168 WeakPolarHBondContact CB-SD 3.46Å; V165-M168 HydrophobicContact CG1-CE 3.57Å; V165-M168 HydrophobicContact CG1-CG 3.85Å; V165-M168 HydrophobicContact CG1-SD 3.64Å; V165-M168 HydrophobicContact CG2-CE 4.21Å; V165-M168 HydrophobicContact CG2-SD 3.78Å; V165-M168 PolarHBondContact O-N 3.1Å
169	S	62.9	Low	70.7	Confident	69 Å²	69	115.4 Å²	115.4	48%	0.483	63%	0.629	S	S	.	*			trans	-81.3	122.6	164.3	170.6	0	0	0	0	109.3	G167 T171	G167-S169 PolarHBondContact O-N 3.17Å; S169-T171 PolarHBondContact O-N 3.09Å; S169-T171 WeakPolarHBondContact OG-CB 3.38Å; S169-T171 PolarHBondContact OG-N 3.32Å; S169-T171 VanDerWaalsContact OG-N 3.15Å; S169-T171 PolarHBondContact OG-O 3.17Å; S169-T171 VanDerWaalsContact OG-O 3.13Å; S169-T171 PolarHBondContact OG-OG1 2.9Å
170	M	63.4	Low	68.3	Low	146 Å²	146	123 Å²	123	72%	0.719	65%	0.653	S	S	*	*	S	Bend	trans	-66.4	-14.8	169.9	-66.9	-72	95.3	0	0	112.4	N172	M170-N172 PolarHBondContact O-N 3.04Å
171	T	66	Low	65.8	Low	73 Å²	73	122.8 Å²	122.8	45%	0.448	66%	0.657	S	S	.	*	S	Bend	trans	-78.2	123.7	173.1	-21.7	0	0	0	0	107.9	S169 H173	S169-T171 PolarHBondContact O-N 3.09Å; S169-T171 WeakPolarHBondContact OG-CB 3.38Å; S169-T171 PolarHBondContact OG-N 3.32Å; S169-T171 VanDerWaalsContact OG-N 3.15Å; S169-T171 PolarHBondContact OG-O 3.17Å; S169-T171 VanDerWaalsContact OG-O 3.13Å; S169-T171 PolarHBondContact OG-OG1 2.9Å; T171-H173 WeakPolarHBondContact CB-CD2 3.49Å; T171-H173 WeakPolarHBondContact CG2-CD2 3.39Å; T171-H173 WeakPolarHBondContact CG2-NE2 3.29Å; T171-H173 PolarHBondContact O-N 3.46Å
172	N	60.9	Low	63.1	Low	161 Å²	161	131.8 Å²	131.8	86%	0.861	69%	0.69	S	S	*	*			trans	-58.9	24.1	172	-67.1	-40.4	0	0	0	113.9	M170 L174	M170-N172 PolarHBondContact O-N 3.04Å; N172-L174 PolarHBondContact O-N 2.92Å
173	H	67.7	Low	61.1	Low	126 Å²	126	126 Å²	126	58%	0.583	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-71.6	117.8	169	-59.7	-33.5	0	0	0	106.8	T171	T171-H173 WeakPolarHBondContact CB-CD2 3.49Å; T171-H173 WeakPolarHBondContact CG2-CD2 3.39Å; T171-H173 WeakPolarHBondContact CG2-NE2 3.29Å; T171-H173 PolarHBondContact O-N 3.46Å
174	L	61.2	Low	59.1	Low	145 Å²	145	135.7 Å²	135.7	76%	0.759	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-48.5	143.8	164.3	-77	83.1	0	0	0	107.9	N172 F176	N172-L174 PolarHBondContact O-N 2.92Å; L174-F176 PolarHBondContact O-N 3Å
175	P	60.7	Low	57.3	Low	109 Å²	109	131.8 Å²	131.8	71%	0.708	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-48.2	125.3	174.6	22	-33	0	0	0	107	V177	P175-V177 PolarHBondContact O-N 2.86Å
176	F	57.9	Low	55.6	Low	195 Å²	195	137.3 Å²	137.3	86%	0.855	74%	0.738	S	S	*	*			trans	-61.2	90.9	173.5	-98.2	-90.6	0	0	0	106.4	L174 R178	L174-F176 PolarHBondContact O-N 3Å; F176-R178 PolarHBondContact O-N 2.99Å
177	V	52.2	Low	54.2	Low	110 Å²	110	136.9 Å²	136.9	67%	0.667	74%	0.737	S	S	*	*			trans	-67.2	91.5	165.4	179.9	0	0	0	0	104.1	P175 G179	P175-V177 PolarHBondContact O-N 2.86Å; V177-G179 PolarHBondContact O-N 2.8Å
178	R	50.9	Low	52.9	Low	253 Å²	253	139.3 Å²	139.3	96%	0.955	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	86.7	171.1	-168.2	-178.8	-157.5	167.2	4.9	107	F176	F176-R178 PolarHBondContact O-N 2.99Å
179	G	51.2	Low	51.8	Low	66 Å²	66	137.9 Å²	137.9	68%	0.68	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	163.7	-6.8	-176.8	0	0	0	0	0	119.6	V177	V177-G179 PolarHBondContact O-N 2.8Å
180	R	45.7	Very low	51	Low	232 Å²	232	143.4 Å²	143.4	88%	0.875	75%	0.748	S	S	*	*			trans	-117.7	91.7	171.5	-72.9	-158.7	-174.5	-126.7	5	110.4
181	A	42.3	Very low	50.2	Low	68 Å²	68	147.3 Å²	147.3	56%	0.562	76%	0.755	S	S	*	*				58	114.1	80.9	0	0	0	0	0	112.3
182	R	38.3	Very low	49.4	Very low	236 Å²	236	149.5 Å²	149.5	89%	0.891	77%	0.77	S	S	*	*			trans	76	111.3	155.6	-57.5	178.1	171.4	100.5	0.6	112.1
183	G	46.7	Very low	48.4	Very low	69 Å²	69	148 Å²	148	71%	0.711	77%	0.767	S	S	*	*				85.2	117.2	68.4	0	0	0	0	0	106.4	G185	G183-G185 PolarHBondContact O-N 2.94Å
184	R	43.7	Very low	47.3	Very low	257 Å²	257	152.5 Å²	152.5	97%	0.97	78%	0.78	S	S	*	*	S	Bend	trans	2.8	111.4	160.5	-86.6	177.1	155.4	119.2	-4.2	114.8
185	G	39.6	Very low	46.5	Very low	63 Å²	63	150.5 Å²	150.5	65%	0.649	78%	0.784	S	S	*	*			trans	83.5	86.3	150.6	0	0	0	0	0	114.9	G183	G183-G185 PolarHBondContact O-N 2.94Å
186	M	42.5	Very low	45.6	Very low	176 Å²	176	148.9 Å²	148.9	87%	0.867	79%	0.788	S	S	*	*			trans	-138.7	102.6	139.5	-83.5	-57	162	0	0	108.6	I188	M186-I188 PolarHBondContact O-N 3.45Å
187	S	44.7	Very low	45	Very low	108 Å²	108	151.1 Å²	151.1	76%	0.755	79%	0.79	S	S	*	*			trans	-64.8	93.8	164.6	47.1	0	0	0	0	108.7	S189	S187-S189 PolarHBondContact O-N 2.98Å; S187-S189 VanDerWaalsContact O-N 3.09Å
188	I	46.2	Very low	44.5	Very low	134 Å²	134	151.4 Å²	151.4	69%	0.687	79%	0.792	S	S	*	*			trans	-75.2	98.7	164.9	-67.2	174.9	0	0	0	106.6	M186 F190	M186-I188 PolarHBondContact O-N 3.45Å; I188-F190 HydrophobicContact CG2-CD2 3.54Å; I188-F190 HydrophobicContact CG2-CE2 3.47Å; I188-F190 VanDerWaalsContact CG2-CE2 3.47Å; I188-F190 HydrophobicContact CG2-CZ 4.41Å; I188-F190 PolarHBondContact O-N 3.26Å
189	S	42.2	Very low	44.1	Very low	100 Å²	100	150.9 Å²	150.9	70%	0.699	79%	0.79	S	S	*	*			trans	-70.7	92.8	170.9	-61.6	0	0	0	0	108.7	S187 R191	S187-S189 PolarHBondContact O-N 2.98Å; S187-S189 VanDerWaalsContact O-N 3.09Å; S189-R191 PolarHBondContact O-N 3.08Å
190	F	47.1	Very low	43.7	Very low	185 Å²	185	157.6 Å²	157.6	81%	0.811	80%	0.796	S	S	*	*			trans	-76.1	96.8	159.6	-86.6	-83.5	0	0	0	107.8	I188 P192	I188-F190 HydrophobicContact CG2-CD2 3.54Å; I188-F190 HydrophobicContact CG2-CE2 3.47Å; I188-F190 VanDerWaalsContact CG2-CE2 3.47Å; I188-F190 HydrophobicContact CG2-CZ 4.41Å; I188-F190 PolarHBondContact O-N 3.26Å; F190-P192 WeakPolarHBondContact O-CD 3.34Å
191	R	45.7	Very low	43.8	Very low	227 Å²	227	151.9 Å²	151.9	86%	0.857	79%	0.789	S	S	*	*			trans	-82.7	113.7	164.5	-76.2	-177.9	133.2	-167.6	-2.8	108.1	S189 V193	S189-R191 PolarHBondContact O-N 3.08Å; R191-V193 PolarHBondContact O-N 2.96Å
192	P	50.8	Low	43.9	Very low	119 Å²	119	159.9 Å²	159.9	77%	0.773	81%	0.805	S	S	*	*			trans	-71.1	116	165.3	28.6	-29.9	0	0	0	108.3	F190 Y194	F190-P192 WeakPolarHBondContact O-CD 3.34Å; P192-Y194 PolarHBondContact O-N 3.26Å
193	V	38.8	Very low	44.2	Very low	131 Å²	131	159.5 Å²	159.5	79%	0.794	81%	0.805	S	S	*	*			trans	-81.5	91.3	166.8	175.9	0	0	0	0	106.8	R191	R191-V193 PolarHBondContact O-N 2.96Å
194	Y	45.1	Very low	44.3	Very low	220 Å²	220	167.6 Å²	167.6	86%	0.863	81%	0.814	S	S	*	*			trans	-142.9	119.3	157.7	-89.1	-82.3	0	0	0	109.5	P192	P192-Y194 PolarHBondContact O-N 3.26Å
195	A	45.1	Very low	44.4	Very low	102 Å²	102	166.4 Å²	166.4	84%	0.843	81%	0.81	S	S	*	*			trans	29.4	134	144.7	0	0	0	0	0	120.1
196	G	41.8	Very low	44.9	Very low	75 Å²	75	174.8 Å²	174.8	77%	0.773	82%	0.822	S	S	*	*			trans	119.2	93.1	150.6	0	0	0	0	0	113.8	V198	G196-V198 PolarHBondContact O-N 3.4Å
197	R	44.5	Very low	45.1	Very low	243 Å²	243	169.8 Å²	169.8	92%	0.917	82%	0.815	S	S	*	*			trans	-66.8	121.6	165.4	-62.8	-137.3	-163.7	-88.6	6.6	109.7
198	V	42.3	Very low	46	Very low	116 Å²	116	170.4 Å²	170.4	70%	0.703	82%	0.82	S	S	*	*			trans	-143.8	111.2	147.3	-173	0	0	0	0	108.4	G196 Y200	G196-V198 PolarHBondContact O-N 3.4Å; V198-Y200 HydrophobicContact CG1-CD2 3.59Å; V198-Y200 HydrophobicContact CG1-CE2 3.3Å
199	R	42.2	Very low	46.3	Very low	241 Å²	241	173.7 Å²	173.7	91%	0.909	83%	0.825	S	S	*	*			trans	-81.4	127.9	166.4	-85.8	-179.6	175.9	178.3	-0.8	107.9
200	Y	42	Very low	47.1	Very low	208 Å²	208	179.4 Å²	179.4	82%	0.816	83%	0.833	S	S	*	*			trans	-134.1	131.7	148.6	-72.9	-70.8	0	0	0	109.2	V198	V198-Y200 HydrophobicContact CG1-CD2 3.59Å; V198-Y200 HydrophobicContact CG1-CE2 3.3Å
201	P	47.5	Very low	47.3	Very low	112 Å²	112	178.9 Å²	178.9	73%	0.727	83%	0.83	S	S	*	*			trans	-89.8	143.9	-172.9	34.1	-32	0	0	0	113.7
202	R	45.3	Very low	48.4	Very low	235 Å²	235	173.7 Å²	173.7	89%	0.887	83%	0.829	S	S	*	*			trans	21.4	112.6	145.9	-69.3	-175.5	175	171	-0.7	119.3
203	Y	44	Very low	49.1	Very low	228 Å²	228	171.6 Å²	171.6	89%	0.894	82%	0.815	S	S	*	*			trans	-142.3	102.5	134.2	-79	-85.6	0	0	0	107
204	R	48.3	Very low	50	Low	239 Å²	239	179.9 Å²	179.9	90%	0.902	83%	0.834	S	S	*	*				43.5	120.3	100.6	-101.7	-168.9	-179.8	-165.2	1.8	115
205	R	46.2	Very low	50.3	Low	232 Å²	232	177.9 Å²	177.9	88%	0.875	83%	0.833	S	S	*	*			trans	137.4	93.1	149.5	-76.2	-77.5	-165.9	-152.1	2.7	107.9
206	R	50.2	Low	50.6	Low	239 Å²	239	181.9 Å²	181.9	90%	0.902	83%	0.832	S	S	*	*				55.1	114.3	84.5	-153.4	-175	-166.3	-151.7	5.5	111.3
207	G	46.4	Very low	51	Low	71 Å²	71	187.8 Å²	187.8	73%	0.732	84%	0.836	S	S	*	*			trans	-55	151.2	-170.8	0	0	0	0	0	115.4
208	S	64.4	Low	51.4	Low	121 Å²	121	184.6 Å²	184.6	85%	0.846	83%	0.831	S	S	*	*			trans	-123.5	116.4	167.9	-165.5	0	0	0	0	107
209	Y	52.9	Low	52	Low	203 Å²	203	188.9 Å²	188.9	80%	0.796	84%	0.839	S	S	*	*			trans	-82.7	156.8	161.4	-55.8	-87.1	0	0	0	107.9
210	Y	57.7	Low	52.7	Low	220 Å²	220	185.4 Å²	185.4	86%	0.863	83%	0.834	S	S	*	*			trans	94.1	114.4	167.3	-61.2	-80	0	0	0	119.3
211	F	52.9	Low	53.4	Low	175 Å²	175	183.8 Å²	183.8	77%	0.768	84%	0.836	S	S	*	*				78.8	114.4	127.1	-159	-96.8	0	0	0	118.6	P213	F211-P213 HydrophobicContact CE1-CB 4.4Å; F211-P213 HydrophobicContact CE1-CG 4.19Å; F211-P213 HydrophobicContact CZ-CB 4.09Å; F211-P213 HydrophobicContact CZ-CG 4.33Å
212	S	67.3	Low	53.9	Low	117 Å²	117	189.3 Å²	189.3	82%	0.818	84%	0.844	S	S	*	*			trans	-155.3	142.8	132.8	-141.4	0	0	0	0	110.9
213	P	67.4	Low	54.6	Low	75 Å²	75	185.5 Å²	185.5	49%	0.487	84%	0.84	S	S	.	*			trans	-101.5	158.6	-153.7	38.6	-32.1	0	0	0	114.1	F211	F211-P213 HydrophobicContact CE1-CB 4.4Å; F211-P213 HydrophobicContact CE1-CG 4.19Å; F211-P213 HydrophobicContact CZ-CB 4.09Å; F211-P213 HydrophobicContact CZ-CG 4.33Å
214	Y	57.6	Low	55.6	Low	306 Å²	306	181.6 Å²	181.6	100%	1.2	84%	0.835	S	S	*	*				-136.2	0	123.2	-81.8	-78.1	0	0	0	107.7

Retrieved 214 of 214 residues in 276.5 ms (Link to these results)

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