A0A5K4F8Y9_SCHMA Loading...

GT23 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8Y9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 196 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	52.8	Low	63.9	Low	196 Å²	196	117.5 Å²	117.5	97%	0.966	54%	0.539	S	S	*	.				0	-66.2	0	-103.2	168.7	166.6	0	0	112.9	Q3 V4 D5	M1-Q3 PolarHBondContact O-N 3.26Å; M1-V4 WeakPolarHBondContact O-CB 3.48Å; M1-V4 PolarHBondContact O-N 2.94Å; M1-D5 PolarHBondContact O-N 2.9Å
2	K	64.9	Low	63.4	Low	177 Å²	177	113.7 Å²	113.7	77%	0.77	53%	0.526	S	S	*	.	H	α-helix	trans	-48.8	-29.2	-177.2	-70.3	-175.3	177.7	179.3	0	117.5	K6	K2-K6 WeakPolarHBondContact O-CG 3.37Å; K2-K6 PolarHBondContact O-N 3.31Å
3	Q	59.9	Low	62.7	Low	112 Å²	112	108.6 Å²	108.6	52%	0.523	52%	0.516	S	S	.	.	H	α-helix	trans	-76.7	-36.9	178.9	-71.9	177.4	-9.5	0	0	112.8	M1 K6 F7	M1-Q3 PolarHBondContact O-N 3.26Å; Q3-K6 PolarHBondContact O-N 3.4Å; Q3-F7 PolarHBondContact O-N 3.13Å; Q3-F7 VanDerWaalsContact O-N 3.13Å
4	V	61	Low	61.9	Low	32 Å²	32	106.1 Å²	106.1	19%	0.194	52%	0.516	C	S	.	.	H	α-helix	trans	-68.3	-45.1	177.7	179.6	0	0	0	0	109.6	M1 K6 F7 F8 I159	M1-V4 WeakPolarHBondContact O-CB 3.48Å; M1-V4 PolarHBondContact O-N 2.94Å; V4-K6 VanDerWaalsContact C-N 3.33Å; V4-K6 PolarHBondContact O-N 3.5Å; V4-F7 PolarHBondContact O-N 3.47Å; V4-F7 VanDerWaalsContact O-N 3.13Å; V4-F8 HydrophobicContact CG1-CD2 3.55Å; V4-F8 HydrophobicContact CG1-CE2 3.4Å; V4-F8 VanDerWaalsContact O-CD2 3.27Å; V4-F8 WeakPolarHBondContact O-CD2 3.27Å; V4-F8 PolarHBondContact O-N 3.01Å; V4-I159 HydrophobicContact CG2-CD1 3.46Å; V4-I159 VanDerWaalsContact CG2-CD1 3.46Å; V4-I159 HydrophobicContact CG2-CG1 3.52Å
5	D	66.9	Low	61	Low	80 Å²	80	106.5 Å²	106.5	43%	0.428	52%	0.52	S	S	.	.	H	α-helix	trans	-58.2	-46	176.5	-53.4	-34.7	0	0	0	110.5	M1 F7 F8 D9	M1-D5 PolarHBondContact O-N 2.9Å; D5-F7 VanDerWaalsContact C-N 3.35Å; D5-F7 PolarHBondContact O-N 3.18Å; D5-F8 PolarHBondContact O-N 3.2Å; D5-D9 VanDerWaalsContact O-CB 3.24Å; D5-D9 WeakPolarHBondContact O-CB 3.41Å; D5-D9 PolarHBondContact O-N 3.13Å
6	K	70.8	Confident	60.2	Low	154 Å²	154	105.1 Å²	105.1	67%	0.67	52%	0.515	S	S	*	.	H	α-helix	trans	-61.5	-37.1	176	-79.2	-178.3	178.4	-172.9	0	114	K2 Q3 V4 R10	K2-K6 WeakPolarHBondContact O-CG 3.37Å; K2-K6 PolarHBondContact O-N 3.31Å; Q3-K6 PolarHBondContact O-N 3.4Å; V4-K6 VanDerWaalsContact C-N 3.33Å; V4-K6 PolarHBondContact O-N 3.5Å; K6-R10 WeakPolarHBondContact O-CB 3.26Å; K6-R10 PolarHBondContact O-N 2.72Å; K6-R10 VanDerWaalsContact O-N 3.15Å
7	F	67.3	Low	59.4	Low	45 Å²	45	106.1 Å²	106.1	20%	0.197	52%	0.522	C	S	.	.	H	α-helix	trans	-66.2	-50.7	177	174.7	-94.3	0	0	0	110.5	Q3 V4 D5 D9 R10 Q11 I158	Q3-F7 PolarHBondContact O-N 3.13Å; Q3-F7 VanDerWaalsContact O-N 3.13Å; V4-F7 PolarHBondContact O-N 3.47Å; V4-F7 VanDerWaalsContact O-N 3.13Å; D5-F7 VanDerWaalsContact C-N 3.35Å; D5-F7 PolarHBondContact O-N 3.18Å; F7-D9 PolarHBondContact O-N 3.15Å; F7-R10 PolarHBondContact O-N 3.33Å; F7-Q11 HydrophobicContact CD1-CG 4.35Å; F7-Q11 HydrophobicContact CE1-CG 3.91Å; F7-Q11 HydrophobicContact CE2-CG 4.3Å; F7-Q11 HydrophobicContact CZ-CG 3.88Å; F7-Q11 WeakPolarHBondContact O-CG 3.32Å; F7-Q11 PolarHBondContact O-N 2.97Å; F7-I158 HydrophobicContact CD1-CD1 4.18Å; F7-I158 HydrophobicContact CD1-CG2 3.97Å; F7-I158 HydrophobicContact CD2-CB 4.45Å; F7-I158 HydrophobicContact CD2-CG2 3.52Å; F7-I158 HydrophobicContact CE1-CD1 4.44Å; F7-I158 HydrophobicContact CE1-CG2 3.94Å; F7-I158 HydrophobicContact CE2-CG2 3.47Å; F7-I158 VanDerWaalsContact CE2-CG2 3.47Å; F7-I158 HydrophobicContact CG-CB 4.35Å; F7-I158 HydrophobicContact CG-CG2 3.77Å; F7-I158 HydrophobicContact CZ-CG2 3.69Å
8	F	65.7	Low	58.5	Low	96 Å²	96	108.6 Å²	108.6	42%	0.421	53%	0.534	S	S	.	.	H	α-helix	trans	-67.5	-34.5	177.7	-72.3	-64	0	0	0	112.2	V4 D5 R10 Q11 N12	V4-F8 HydrophobicContact CG1-CD2 3.55Å; V4-F8 HydrophobicContact CG1-CE2 3.4Å; V4-F8 VanDerWaalsContact O-CD2 3.27Å; V4-F8 WeakPolarHBondContact O-CD2 3.27Å; V4-F8 PolarHBondContact O-N 3.01Å; D5-F8 PolarHBondContact O-N 3.2Å; F8-R10 VanDerWaalsContact C-N 3.26Å; F8-R10 PolarHBondContact O-N 2.83Å; F8-Q11 PolarHBondContact O-N 3.35Å; F8-N12 WeakPolarHBondContact O-CA 3.45Å; F8-N12 WeakPolarHBondContact O-CB 3.44Å; F8-N12 PolarHBondContact O-N 3.36Å; F8-N12 PolarHBondContact O-ND2 3.33Å
9	D	68.9	Low	57.8	Low	104 Å²	104	105.7 Å²	105.7	56%	0.556	53%	0.526	S	S	*	.	H	α-helix	trans	-60.2	-38.7	173.1	-73.8	-23.2	0	0	0	111.1	D5 F7 A13	D5-D9 VanDerWaalsContact O-CB 3.24Å; D5-D9 WeakPolarHBondContact O-CB 3.41Å; D5-D9 PolarHBondContact O-N 3.13Å; F7-D9 PolarHBondContact O-N 3.15Å; D9-A13 WeakPolarHBondContact O-CB 3.47Å; D9-A13 PolarHBondContact O-N 3.37Å
10	R	62.5	Low	57.1	Low	204 Å²	204	107.8 Å²	107.8	77%	0.77	53%	0.532	S	S	*	.	H	α-helix	trans	-72.8	-41.5	178.8	-160.9	178.2	-172	179.2	1.6	112.2	K6 F7 F8 S14	K6-R10 WeakPolarHBondContact O-CB 3.26Å; K6-R10 PolarHBondContact O-N 2.72Å; K6-R10 VanDerWaalsContact O-N 3.15Å; F7-R10 PolarHBondContact O-N 3.33Å; F8-R10 VanDerWaalsContact C-N 3.26Å; F8-R10 PolarHBondContact O-N 2.83Å; R10-S14 PolarHBondContact O-N 3.42Å
11	Q	61.9	Low	56.5	Low	93 Å²	93	113.2 Å²	113.2	44%	0.435	55%	0.546	S	S	.	.	H	α-helix	trans	-71.1	-45.7	176.3	-66.7	-63.9	-11.5	0	0	111.7	F7 F8 A13 S14 L15	F7-Q11 HydrophobicContact CD1-CG 4.35Å; F7-Q11 HydrophobicContact CE1-CG 3.91Å; F7-Q11 HydrophobicContact CE2-CG 4.3Å; F7-Q11 HydrophobicContact CZ-CG 3.88Å; F7-Q11 WeakPolarHBondContact O-CG 3.32Å; F7-Q11 PolarHBondContact O-N 2.97Å; F8-Q11 PolarHBondContact O-N 3.35Å; Q11-A13 VanDerWaalsContact C-N 3.31Å; Q11-A13 PolarHBondContact O-N 3.13Å; Q11-S14 WeakPolarHBondContact O-CB 3.24Å; Q11-S14 PolarHBondContact O-N 3.46Å; Q11-L15 PolarHBondContact O-N 3.36Å
12	N	57.8	Low	56.2	Low	71 Å²	71	112 Å²	112	38%	0.38	54%	0.538	S	S	.	.	H	α-helix	trans	-63.8	-34	174.3	-71.8	-28.8	0	0	0	111.3	F8 S14 L15 L16	F8-N12 WeakPolarHBondContact O-CA 3.45Å; F8-N12 WeakPolarHBondContact O-CB 3.44Å; F8-N12 PolarHBondContact O-N 3.36Å; F8-N12 PolarHBondContact O-ND2 3.33Å; N12-S14 PolarHBondContact O-N 2.69Å; N12-L15 PolarHBondContact O-N 3.08Å; N12-L16 HydrophobicContact CB-CD1 4.09Å; N12-L16 WeakPolarHBondContact O-CA 3.35Å; N12-L16 WeakPolarHBondContact O-CB 3.1Å; N12-L16 WeakPolarHBondContact O-CD1 3.43Å; N12-L16 WeakPolarHBondContact O-CG 3.04Å; N12-L16 PolarHBondContact O-N 2.7Å
13	A	54.6	Low	55.4	Low	48 Å²	48	108.7 Å²	108.7	40%	0.397	53%	0.529	S	S	.	.	H	α-helix	trans	-58.4	-41.3	172.2	0	0	0	0	0	111.1	D9 Q11 I17	D9-A13 WeakPolarHBondContact O-CB 3.47Å; D9-A13 PolarHBondContact O-N 3.37Å; Q11-A13 VanDerWaalsContact C-N 3.31Å; Q11-A13 PolarHBondContact O-N 3.13Å; A13-I17 WeakPolarHBondContact O-CB 3Å; A13-I17 VanDerWaalsContact O-CD1 3.23Å; A13-I17 WeakPolarHBondContact O-CD1 3.38Å; A13-I17 WeakPolarHBondContact O-CG1 3.13Å; A13-I17 PolarHBondContact O-N 3.31Å; A13-I17 VanDerWaalsContact O-N 3.13Å
14	S	51.3	Low	54.6	Low	74 Å²	74	112.4 Å²	112.4	52%	0.517	54%	0.543	S	S	.	.	H	α-helix	trans	-67.2	-45.2	176.7	-157.7	0	0	0	0	112.2	R10 Q11 N12 I17 M18	R10-S14 PolarHBondContact O-N 3.42Å; Q11-S14 WeakPolarHBondContact O-CB 3.24Å; Q11-S14 PolarHBondContact O-N 3.46Å; N12-S14 PolarHBondContact O-N 2.69Å; S14-I17 PolarHBondContact O-N 2.86Å; S14-M18 PolarHBondContact O-N 2.91Å
15	L	49.3	Very low	53.7	Low	111 Å²	111	118.2 Å²	118.2	58%	0.581	57%	0.573	S	S	*	*	H	α-helix	trans	-71.7	-35.7	179.4	-70.5	162.7	0	0	0	113.1	Q11 N12 I17 M18 S19	Q11-L15 PolarHBondContact O-N 3.36Å; N12-L15 PolarHBondContact O-N 3.08Å; L15-I17 VanDerWaalsContact C-N 3.33Å; L15-M18 PolarHBondContact O-N 3Å; L15-M18 VanDerWaalsContact O-N 3.16Å; L15-S19 PolarHBondContact O-N 3.49Å
16	L	47.2	Very low	52.5	Low	84 Å²	84	121.4 Å²	121.4	44%	0.44	59%	0.585	S	S	.	*	H	α-helix	trans	-70.3	-28.3	175.7	-73.9	164	0	0	0	112	N12 M18 K20	N12-L16 HydrophobicContact CB-CD1 4.09Å; N12-L16 WeakPolarHBondContact O-CA 3.35Å; N12-L16 WeakPolarHBondContact O-CB 3.1Å; N12-L16 WeakPolarHBondContact O-CD1 3.43Å; N12-L16 WeakPolarHBondContact O-CG 3.04Å; N12-L16 PolarHBondContact O-N 2.7Å; L16-M18 VanDerWaalsContact C-N 3.28Å; L16-K20 WeakPolarHBondContact O-CB 3.49Å; L16-K20 WeakPolarHBondContact O-CD 3.21Å; L16-K20 WeakPolarHBondContact O-CG 3.15Å; L16-K20 PolarHBondContact O-N 3.38Å; L16-K20 VanDerWaalsContact O-N 3.08Å
17	I	47.2	Very low	50.8	Low	123 Å²	123	123.6 Å²	123.6	63%	0.631	60%	0.595	S	S	*	*	H	α-helix	trans	-68.1	-32.1	171.3	-71.8	164.1	0	0	0	110.4	A13 S14 L15	A13-I17 WeakPolarHBondContact O-CB 3Å; A13-I17 VanDerWaalsContact O-CD1 3.23Å; A13-I17 WeakPolarHBondContact O-CD1 3.38Å; A13-I17 WeakPolarHBondContact O-CG1 3.13Å; A13-I17 PolarHBondContact O-N 3.31Å; A13-I17 VanDerWaalsContact O-N 3.13Å; S14-I17 PolarHBondContact O-N 2.86Å; L15-I17 VanDerWaalsContact C-N 3.33Å
18	M	43.4	Very low	49.3	Very low	150 Å²	150	130.9 Å²	130.9	74%	0.739	63%	0.626	S	S	*	*	H	α-helix	trans	-81.6	-39.9	175.9	-66.5	-154.5	141.4	0	0	113.3	S14 L15 L16 R21	S14-M18 PolarHBondContact O-N 2.91Å; L15-M18 PolarHBondContact O-N 3Å; L15-M18 VanDerWaalsContact O-N 3.16Å; L16-M18 VanDerWaalsContact C-N 3.28Å; M18-R21 PolarHBondContact O-N 2.97Å
19	S	44.1	Very low	47.9	Very low	55 Å²	55	134.5 Å²	134.5	39%	0.385	65%	0.649	S	S	.	*	H	α-helix	trans	-74.8	-27.4	-179.9	75.1	0	0	0	0	113.8	L15 R21 H22 N23	L15-S19 PolarHBondContact O-N 3.49Å; S19-R21 PolarHBondContact O-N 2.81Å; S19-H22 PolarHBondContact O-N 3.43Å; S19-H22 VanDerWaalsContact O-N 3.13Å; S19-N23 PolarHBondContact O-N 3.21Å
20	K	44.7	Very low	46.3	Very low	147 Å²	147	132.1 Å²	132.1	64%	0.639	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-14.4	176	-79.8	177	179.6	178.5	0	114.1	L16	L16-K20 WeakPolarHBondContact O-CB 3.49Å; L16-K20 WeakPolarHBondContact O-CD 3.21Å; L16-K20 WeakPolarHBondContact O-CG 3.15Å; L16-K20 PolarHBondContact O-N 3.38Å; L16-K20 VanDerWaalsContact O-N 3.08Å
21	R	45.1	Very low	45.3	Very low	222 Å²	222	127.9 Å²	127.9	84%	0.838	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-23.7	172	-79.2	-176	174.4	167.9	-0.6	113.4	M18 S19	M18-R21 PolarHBondContact O-N 2.97Å; S19-R21 PolarHBondContact O-N 2.81Å
22	H	45.4	Very low	44.3	Very low	170 Å²	170	129.4 Å²	129.4	79%	0.787	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	-16.3	178.4	-93.2	-88.8	0	0	0	114.5	S19 K24	S19-H22 PolarHBondContact O-N 3.43Å; S19-H22 VanDerWaalsContact O-N 3.13Å; H22-K24 VanDerWaalsContact C-N 3.33Å; H22-K24 PolarHBondContact O-N 2.86Å
23	N	48.3	Very low	43.8	Very low	108 Å²	108	130.6 Å²	130.6	58%	0.578	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-85.8	11.1	-171.5	-124.7	-15.3	0	0	0	115.9	S19 N25	S19-N23 PolarHBondContact O-N 3.21Å; N23-N25 VanDerWaalsContact C-N 3.31Å; N23-N25 PolarHBondContact O-N 3.08Å
24	K	42.2	Very low	43.3	Very low	189 Å²	189	136.3 Å²	136.3	82%	0.822	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-80.5	-4	176.2	-90.9	-174.2	176.1	180	0	114.7	H22	H22-K24 VanDerWaalsContact C-N 3.33Å; H22-K24 PolarHBondContact O-N 2.86Å
25	N	43.7	Very low	42.8	Very low	155 Å²	155	143.8 Å²	143.8	83%	0.829	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-111.2	4.8	-178	-73.3	-13.8	0	0	0	115.9	N23 K27	N23-N25 VanDerWaalsContact C-N 3.31Å; N23-N25 PolarHBondContact O-N 3.08Å; N25-K27 PolarHBondContact O-N 3.26Å
26	H	40.3	Very low	42.5	Very low	146 Å²	146	143.4 Å²	143.4	68%	0.676	71%	0.712	S	S	*	*			trans	-95.6	33.7	-178.6	-97	-73.1	0	0	0	115.7	K28	H26-K28 PolarHBondContact O-N 3.01Å
27	K	35.8	Very low	42.4	Very low	201 Å²	201	145.6 Å²	145.6	87%	0.874	72%	0.722	S	S	*	*			trans	-92.6	70.7	168.7	-79.7	-172.9	175.7	179.8	0	111.4	N25	N25-K27 PolarHBondContact O-N 3.26Å
28	K	35.3	Very low	42.3	Very low	198 Å²	198	150.8 Å²	150.8	86%	0.861	73%	0.733	S	S	*	*			trans	168.2	77.1	155.8	-104.2	177.4	173	-178.1	0	111.5	H26	H26-K28 PolarHBondContact O-N 3.01Å
29	L	37.3	Very low	42.4	Very low	172 Å²	172	154.2 Å²	154.2	90%	0.901	74%	0.738	S	S	*	*			trans	-178.1	76.6	152.5	-128.4	66.7	0	0	0	105
30	G	34	Very low	42.4	Very low	53 Å²	53	158.8 Å²	158.8	55%	0.546	76%	0.758	S	S	.	*				81.3	79.9	69.7	0	0	0	0	0	108.1	I32	G30-I32 PolarHBondContact O-N 2.74Å
31	S	42	Very low	42.5	Very low	116 Å²	116	158.6 Å²	158.6	81%	0.811	76%	0.764	S	S	*	*	S	Bend	trans	-52.6	44.6	173.1	44.5	0	0	0	0	115.8
32	I	41.5	Very low	42.9	Very low	124 Å²	124	153.9 Å²	153.9	64%	0.636	77%	0.765	S	S	*	*			trans	-99.2	-17.3	-167.5	-68.2	172.3	0	0	0	113.1	G30 T36	G30-I32 PolarHBondContact O-N 2.74Å; I32-T36 PolarHBondContact O-OG1 3Å
33	S	46.7	Very low	43.5	Very low	96 Å²	96	151.1 Å²	151.1	67%	0.671	76%	0.755	S	S	*	*	H	α-helix	trans	-78.5	-34.1	-172.9	51.7	0	0	0	0	114.8
34	E	44.4	Very low	44.1	Very low	169 Å²	169	153.5 Å²	153.5	79%	0.79	76%	0.763	S	S	*	*	H	α-helix	trans	-86	-23.6	-172.8	-71.7	-174.2	153.3	0	0	115.1
35	R	41.7	Very low	45.4	Very low	231 Å²	231	150.9 Å²	150.9	87%	0.872	76%	0.756	S	S	*	*	H	α-helix	trans	-90.3	-16.4	-176.7	-73.8	-176.4	178.1	176.2	-0	114.2
36	T	42.9	Very low	47.1	Very low	103 Å²	103	149.8 Å²	149.8	63%	0.632	74%	0.744	S	S	*	*	H	α-helix	trans	-94.8	-23.7	-173.7	-40.1	0	0	0	0	113.1	I32 R38	I32-T36 PolarHBondContact O-OG1 3Å; T36-R38 PolarHBondContact O-N 3.07Å
37	M	44.9	Very low	49.6	Very low	130 Å²	130	150.5 Å²	150.5	64%	0.64	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-5.1	-177.4	-73.5	-162.7	74.9	0	0	115.8	I43	M37-I43 HydrophobicContact CE-CD1 4.21Å
38	R	44.7	Very low	52.4	Low	232 Å²	232	144.3 Å²	144.3	88%	0.875	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	7.7	-175.5	-76.3	-169.5	174.5	-168.6	0.3	115.7	T36	T36-R38 PolarHBondContact O-N 3.07Å
39	R	45.6	Very low	55.3	Low	221 Å²	221	137.3 Å²	137.3	83%	0.834	70%	0.695	S	S	*	*	S	Bend	trans	-132.4	111.6	179.6	-89.9	176.8	163.3	153	-5.4	112.1
40	N	43	Very low	58.1	Low	152 Å²	152	131.6 Å²	131.6	81%	0.813	66%	0.661	S	S	*	*	S	Bend	trans	77.3	42	152.9	-60.8	-1	0	0	0	120.4
41	N	48.7	Very low	61.2	Low	143 Å²	143	130.7 Å²	130.7	77%	0.765	64%	0.644	S	S	*	*			trans	-158.3	128.9	141.6	-100	-19.2	0	0	0	107.1	I43	N41-I43 HydrophobicContact CB-CG1 4.19Å; N41-I43 PolarHBondContact O-N 2.86Å
42	S	51.5	Low	63.8	Low	123 Å²	123	127 Å²	127	86%	0.86	62%	0.62	S	S	*	*			trans	-68.6	74.8	166.1	54.8	0	0	0	0	107.9	Q44	S42-Q44 VanDerWaalsContact C-N 3.28Å; S42-Q44 PolarHBondContact O-N 3.43Å
43	I	58.4	Low	66.4	Low	112 Å²	112	122.3 Å²	122.3	57%	0.574	60%	0.597	S	S	*	*			trans	-62.6	101.9	166.7	-62	172.4	0	0	0	104	M37 N41 I45	M37-I43 HydrophobicContact CE-CD1 4.21Å; N41-I43 HydrophobicContact CB-CG1 4.19Å; N41-I43 PolarHBondContact O-N 2.86Å; I43-I45 VanDerWaalsContact C-N 3.27Å; I43-I45 PolarHBondContact O-N 3.16Å
44	Q	60.8	Low	68.7	Low	157 Å²	157	122.2 Å²	122.2	73%	0.734	59%	0.589	S	S	*	*			trans	-66.6	96.2	173.6	-169.7	178.2	19.9	0	0	106.2	S42 K46	S42-Q44 VanDerWaalsContact C-N 3.28Å; S42-Q44 PolarHBondContact O-N 3.43Å; Q44-K46 PolarHBondContact O-N 3.44Å
45	I	69.6	Low	71	Confident	135 Å²	135	117.1 Å²	117.1	69%	0.692	57%	0.567	S	S	*	*			trans	-64.5	102.3	176.3	-59.2	175.4	0	0	0	106.2	I43	I43-I45 VanDerWaalsContact C-N 3.27Å; I43-I45 PolarHBondContact O-N 3.16Å
46	K	80.1	Confident	73.5	Confident	131 Å²	131	107.6 Å²	107.6	57%	0.57	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-74.5	134.4	173.5	-71.5	-173.9	174.9	-174.8	0	108.4	Q44 I70	Q44-K46 PolarHBondContact O-N 3.44Å; K46-I70 HydrophobicContact CB-CD1 3.55Å; K46-I70 HydrophobicContact CB-CG1 3.95Å; K46-I70 HydrophobicContact CD-CD1 3.68Å; K46-I70 HydrophobicContact CD-CG1 3.95Å; K46-I70 HydrophobicContact CG-CD1 4.26Å
47	R	91.9	Very high	75.9	Confident	161 Å²	161	106.9 Å²	106.9	61%	0.608	53%	0.528	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	123.7	178.7	-62.7	-179.1	178.8	177.7	-1.1	108.5	Y69 I70	R47-Y69 HydrophobicContact CB-CD1 3.42Å; R47-Y69 VanDerWaalsContact CB-CD1 3.42Å; R47-Y69 HydrophobicContact CB-CE1 3.35Å; R47-Y69 HydrophobicContact CB-CE2 4.45Å; R47-Y69 HydrophobicContact CB-CG 4.07Å; R47-Y69 VanDerWaalsContact CD-CZ 3.48Å; R47-Y69 WeakPolarHBondContact CD-OH 3.23Å; R47-Y69 HydrophobicContact CG-CE1 4.22Å; R47-Y69 PolarHBondContact NH1-OH 3.42Å; R47-Y69 CarbonylContact O-C 3.57Å; R47-Y69 WeakPolarHBondContact O-CA 3.09Å; R47-Y69 WeakPolarHBondContact O-CD1 3.47Å; R47-I70 PolarHBondContact O-N 3.39Å
48	S	94.4	Very high	78.3	Confident	71 Å²	71	103 Å²	103	50%	0.497	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	142.2	-177.6	-64.7	0	0	0	0	110.6	I70	S48-I70 CarbonylContact C-O 3.53Å; S48-I70 WeakPolarHBondContact CA-O 3.23Å
49	I	96.3	Very high	80.8	Confident	52 Å²	52	93.2 Å²	93.2	27%	0.267	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	136.4	174.9	-74.1	165.1	0	0	0	108.5	F62 Y69 I70 L71 Y72	I49-F62 HydrophobicContact CD1-CE1 3.99Å; I49-F62 HydrophobicContact CD1-CE2 4.07Å; I49-F62 HydrophobicContact CD1-CZ 3.29Å; I49-Y69 HydrophobicContact CD1-CD1 3.2Å; I49-Y69 HydrophobicContact CD1-CE1 3.53Å; I49-Y69 HydrophobicContact CD1-CG 3.95Å; I49-Y69 HydrophobicContact CG1-CD1 3.7Å; I49-Y69 HydrophobicContact CG1-CE1 4.08Å; I49-I70 PolarHBondContact N-O 2.85Å; I49-L71 HydrophobicContact CB-CD1 4.46Å; I49-L71 HydrophobicContact CG2-CD1 4.1Å; I49-Y72 WeakPolarHBondContact O-CB 3.1Å; I49-Y72 PolarHBondContact O-N 3.49Å
50	Y	97.7	Very high	83.1	Confident	51 Å²	51	86.8 Å²	86.8	20%	0.2	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	122.5	162.4	-173.7	-89.3	0	0	0	109.2	A52 Y72 R77 D98 A101 L102	Y50-A52 HydrophobicContact CE1-CB 4.15Å; Y50-Y72 WeakPolarHBondContact CA-O 3.3Å; Y50-R77 VanDerWaalsContact OH-CZ 3.27Å; Y50-R77 PolarHBondContact OH-NH2 3.34Å; Y50-D98 PolarHBondContact OH-OD1 3.15Å; Y50-A101 HydrophobicContact CD1-CB 4.07Å; Y50-A101 HydrophobicContact CD2-CB 4.05Å; Y50-A101 HydrophobicContact CE1-CB 3.5Å; Y50-A101 VanDerWaalsContact CE1-CB 3.5Å; Y50-A101 HydrophobicContact CE2-CB 3.46Å; Y50-A101 VanDerWaalsContact CE2-CB 3.46Å; Y50-A101 HydrophobicContact CG-CB 4.31Å; Y50-A101 VanDerWaalsContact OH-CB 3.26Å; Y50-A101 WeakPolarHBondContact OH-CB 3.42Å; Y50-L102 HydrophobicContact CD1-CD2 4Å; Y50-L102 HydrophobicContact CD1-CG 4.28Å; Y50-L102 HydrophobicContact CE1-CG 4.38Å
51	L	97.6	Very high	85.6	Confident	35 Å²	35	84.8 Å²	84.8	18%	0.183	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.1	179.4	177.8	66.5	0	0	0	110.2	T53 D58 F59 L71 Y72	L51-T53 HydrophobicContact CD1-CG2 4.31Å; L51-T53 HydrophobicContact CD2-CG2 4.07Å; L51-T53 HydrophobicContact CG-CG2 3.95Å; L51-D58 HydrophobicContact CD2-CB 3.8Å; L51-F59 HydrophobicContact CB-CE1 4.37Å; L51-F59 HydrophobicContact CB-CZ 4.2Å; L51-F59 HydrophobicContact CD2-CD1 4.42Å; L51-F59 HydrophobicContact CD2-CD2 4.3Å; L51-F59 HydrophobicContact CD2-CE1 4.2Å; L51-F59 HydrophobicContact CD2-CE2 4.05Å; L51-F59 HydrophobicContact CD2-CG 4.46Å; L51-F59 HydrophobicContact CD2-CZ 4.01Å; L51-F59 HydrophobicContact CG-CE2 4.4Å; L51-F59 HydrophobicContact CG-CZ 4.13Å; L51-L71 HydrophobicContact CB-CD1 3.61Å; L51-L71 HydrophobicContact CD2-CD1 4.13Å; L51-L71 HydrophobicContact CD2-CD2 4.3Å; L51-Y72 PolarHBondContact N-O 2.99Å
52	A	97.2	Very high	87.8	Confident	37 Å²	37	80 Å²	80	31%	0.306	42%	0.417	S	S	.	.			trans	-118	117	167.3	0	0	0	0	0	108.2	Y50 D98 L102	Y50-A52 HydrophobicContact CE1-CB 4.15Å; A52-D98 HydrophobicContact CB-CB 3.86Å; A52-L102 HydrophobicContact CB-CD1 3.88Å; A52-L102 HydrophobicContact CB-CD2 4.24Å; A52-L102 HydrophobicContact CB-CG 4.16Å
53	T	95.9	Very high	89.8	Confident	27 Å²	27	76.7 Å²	76.7	17%	0.166	39%	0.393	C	S	.	.			trans	-148.7	151.1	-174.2	179	0	0	0	0	108.9	L51 D55 D58 F59 S78	L51-T53 HydrophobicContact CD1-CG2 4.31Å; L51-T53 HydrophobicContact CD2-CG2 4.07Å; L51-T53 HydrophobicContact CG-CG2 3.95Å; T53-D55 WeakPolarHBondContact CG2-O 3.23Å; T53-D55 PolarHBondContact OG1-N 3.36Å; T53-D58 WeakPolarHBondContact CB-OD2 3.32Å; T53-D58 HydrophobicContact CG2-CB 4.05Å; T53-D58 PolarHBondContact OG1-OD2 2.85Å; T53-F59 HydrophobicContact CG2-CD2 4.32Å; T53-F59 HydrophobicContact CG2-CE2 3.77Å; T53-S78 WeakPolarHBondContact CG2-OG 3.2Å; T53-S78 VanDerWaalsContact O-CA 3.28Å; T53-S78 WeakPolarHBondContact O-CA 3.49Å; T53-S78 WeakPolarHBondContact O-CB 3.34Å; T53-S78 PolarHBondContact O-OG 3.27Å
54	D	94.4	Very high	91.5	Very high	94 Å²	94	77.7 Å²	77.7	50%	0.503	40%	0.399	S	S	.	.	S	Bend	trans	-90	-0	168	62.6	-13	0	0	0	113.1	A81 R86	D54-A81 HydrophobicContact CB-CB 3.61Å; D54-R86 IonicContact OD2-CZ 3.98Å; D54-R86 IonicContact OD2-NH2 3.59Å; D54-R86 PolarHBondContact OD2-NH2 3.03Å
55	D	94.2	Very high	93.2	Very high	61 Å²	61	74.3 Å²	74.3	33%	0.326	39%	0.393	S	S	.	.			trans	-102.6	107.1	170.7	-169.6	-12.8	0	0	0	111.8	T53 N57 D58	T53-D55 WeakPolarHBondContact CG2-O 3.23Å; T53-D55 PolarHBondContact OG1-N 3.36Å; D55-N57 PolarHBondContact O-N 3.13Å; D55-N57 VanDerWaalsContact OD1-CB 3.23Å; D55-N57 WeakPolarHBondContact OD1-CB 3.29Å; D55-N57 PolarHBondContact OD1-N 3.2Å; D55-N57 PolarHBondContact OD1-ND2 3.48Å; D55-D58 PolarHBondContact O-N 3.27Å
56	P	92.8	Very high	94.3	Very high	32 Å²	32	72.1 Å²	72.1	21%	0.208	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.9	178.7	27.8	-34.6	0	0	0	114	D58 F59 H79	P56-D58 PolarHBondContact O-N 2.89Å; P56-F59 PolarHBondContact O-N 2.74Å; P56-H79 WeakPolarHBondContact CB-CE1 3.29Å
57	N	94.8	Very high	94.9	Very high	88 Å²	88	70.6 Å²	70.6	47%	0.471	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-27.1	179.6	-61	-56.6	0	0	0	111.9	D55 F59 T60 Q61	D55-N57 PolarHBondContact O-N 3.13Å; D55-N57 VanDerWaalsContact OD1-CB 3.23Å; D55-N57 WeakPolarHBondContact OD1-CB 3.29Å; D55-N57 PolarHBondContact OD1-N 3.2Å; D55-N57 PolarHBondContact OD1-ND2 3.48Å; N57-F59 PolarHBondContact O-N 2.85Å; N57-T60 PolarHBondContact O-N 2.79Å; N57-T60 PolarHBondContact O-OG1 3.4Å; N57-Q61 PolarHBondContact O-N 3.31Å
58	D	95.1	Very high	94.9	Very high	47 Å²	47	69.1 Å²	69.1	25%	0.251	39%	0.387	S	S	.	.	H	α-helix	trans	-58	-31.8	179.4	-68.6	-25.4	0	0	0	112.3	L51 T53 D55 P56 T60 Q61 F62	L51-D58 HydrophobicContact CD2-CB 3.8Å; T53-D58 WeakPolarHBondContact CB-OD2 3.32Å; T53-D58 HydrophobicContact CG2-CB 4.05Å; T53-D58 PolarHBondContact OG1-OD2 2.85Å; D55-D58 PolarHBondContact O-N 3.27Å; P56-D58 PolarHBondContact O-N 2.89Å; D58-T60 PolarHBondContact O-N 2.83Å; D58-Q61 PolarHBondContact O-N 2.99Å; D58-F62 WeakPolarHBondContact O-CB 3.21Å; D58-F62 PolarHBondContact O-N 2.98Å
59	F	96.2	Very high	94.9	Very high	27 Å²	27	69.4 Å²	69.4	12%	0.118	38%	0.378	C	S	.	.	H	α-helix	trans	-67.5	-19.9	176.2	-76.1	-84.1	0	0	0	113.9	L51 T53 P56 N57 P63 L71 P75 S78	L51-F59 HydrophobicContact CB-CE1 4.37Å; L51-F59 HydrophobicContact CB-CZ 4.2Å; L51-F59 HydrophobicContact CD2-CD1 4.42Å; L51-F59 HydrophobicContact CD2-CD2 4.3Å; L51-F59 HydrophobicContact CD2-CE1 4.2Å; L51-F59 HydrophobicContact CD2-CE2 4.05Å; L51-F59 HydrophobicContact CD2-CG 4.46Å; L51-F59 HydrophobicContact CD2-CZ 4.01Å; L51-F59 HydrophobicContact CG-CE2 4.4Å; L51-F59 HydrophobicContact CG-CZ 4.13Å; T53-F59 HydrophobicContact CG2-CD2 4.32Å; T53-F59 HydrophobicContact CG2-CE2 3.77Å; P56-F59 PolarHBondContact O-N 2.74Å; N57-F59 PolarHBondContact O-N 2.85Å; F59-P63 VanDerWaalsContact O-CD 3.27Å; F59-P63 WeakPolarHBondContact O-CD 3.44Å; F59-P63 WeakPolarHBondContact O-CG 3.48Å; F59-L71 HydrophobicContact CD1-CD2 3.78Å; F59-L71 HydrophobicContact CD1-CG 4.41Å; F59-L71 HydrophobicContact CE1-CD2 4.28Å; F59-L71 HydrophobicContact CE1-CG 4.48Å; F59-P75 HydrophobicContact CB-CB 4.45Å; F59-P75 HydrophobicContact CB-CG 3.82Å; F59-P75 HydrophobicContact CD1-CG 4Å; F59-P75 HydrophobicContact CD2-CB 4.25Å; F59-P75 HydrophobicContact CD2-CG 4.1Å; F59-P75 HydrophobicContact CG-CB 4.3Å; F59-P75 HydrophobicContact CG-CG 3.68Å; F59-S78 VanDerWaalsContact CE2-OG 3.26Å; F59-S78 WeakPolarHBondContact CE2-OG 3.48Å
60	T	95	Very high	94.8	Very high	86 Å²	86	69.7 Å²	69.7	53%	0.528	38%	0.38	S	S	.	.	H	α-helix	trans	-95.1	-38.1	173.1	66.6	0	0	0	0	111.6	N57 D58 N64	N57-T60 PolarHBondContact O-N 2.79Å; N57-T60 PolarHBondContact O-OG1 3.4Å; D58-T60 PolarHBondContact O-N 2.83Å; T60-N64 VanDerWaalsContact O-CG 3.31Å; T60-N64 PolarHBondContact O-ND2 3.03Å
61	Q	95.8	Very high	94.7	Very high	110 Å²	110	69.2 Å²	69.2	51%	0.514	38%	0.38	S	S	.	.	H	α-helix	trans	-74.8	-40.2	-177.4	-64.5	-177.3	23	0	0	112.6	N57 D58 N64 S65	N57-Q61 PolarHBondContact O-N 3.31Å; D58-Q61 PolarHBondContact O-N 2.99Å; Q61-N64 PolarHBondContact O-N 2.63Å; Q61-S65 PolarHBondContact O-N 2.8Å; Q61-S65 VanDerWaalsContact O-N 3.09Å; Q61-S65 PolarHBondContact O-OG 3.03Å
62	F	94.6	Very high	94.6	Very high	43 Å²	43	73.3 Å²	73.3	19%	0.189	39%	0.394	C	S	.	.	H	α-helix	trans	-63.1	-49.5	-174.1	-176.3	-83.3	0	0	0	113.1	I49 D58 N64 S65 H66 Y69 L71	I49-F62 HydrophobicContact CD1-CE1 3.99Å; I49-F62 HydrophobicContact CD1-CE2 4.07Å; I49-F62 HydrophobicContact CD1-CZ 3.29Å; D58-F62 WeakPolarHBondContact O-CB 3.21Å; D58-F62 PolarHBondContact O-N 2.98Å; F62-N64 PolarHBondContact O-N 3.18Å; F62-S65 PolarHBondContact O-N 3.47Å; F62-H66 HydrophobicContact CD1-CB 4.44Å; F62-H66 AromaticContact CD2-ND1 3.77Å; F62-H66 HydrophobicContact CE1-CB 3.87Å; F62-H66 HydrophobicContact CE2-CB 4.24Å; F62-H66 AromaticContact CE2-CG 3.95Å; F62-H66 AromaticContact CE2-ND1 3.53Å; F62-H66 HydrophobicContact CZ-CB 3.72Å; F62-H66 AromaticContact CZ-CG 3.89Å; F62-H66 AromaticContact CZ-ND1 3.93Å; F62-H66 PolarHBondContact O-N 3.29Å; F62-Y69 HydrophobicContact CZ-CG 4.44Å; F62-L71 HydrophobicContact CB-CD2 4.16Å; F62-L71 HydrophobicContact CD1-CB 4.23Å; F62-L71 HydrophobicContact CD1-CD1 3.71Å; F62-L71 HydrophobicContact CD1-CD2 3.99Å; F62-L71 HydrophobicContact CD1-CG 4.2Å; F62-L71 HydrophobicContact CE1-CD1 4.09Å; F62-L71 HydrophobicContact CG-CD1 4.25Å; F62-L71 HydrophobicContact CG-CD2 4.38Å
63	P	93.5	Very high	94.5	Very high	53 Å²	53	73 Å²	73	34%	0.344	39%	0.394	S	S	.	.	H	α-helix	trans	-62.9	-29.9	178.3	-23.2	36.2	0	0	0	113.2	F59 P67 L71	F59-P63 VanDerWaalsContact O-CD 3.27Å; F59-P63 WeakPolarHBondContact O-CD 3.44Å; F59-P63 WeakPolarHBondContact O-CG 3.48Å; P63-P67 WeakPolarHBondContact O-CA 3.43Å; P63-L71 HydrophobicContact CG-CD2 3.89Å
64	N	94.6	Very high	94.5	Very high	134 Å²	134	73.3 Å²	73.3	72%	0.717	40%	0.398	S	S	*	.	H	α-helix	trans	-69	-43.9	176.7	-68.4	-19.1	0	0	0	111.7	T60 Q61 F62	T60-N64 VanDerWaalsContact O-CG 3.31Å; T60-N64 PolarHBondContact O-ND2 3.03Å; Q61-N64 PolarHBondContact O-N 2.63Å; F62-N64 PolarHBondContact O-N 3.18Å
65	S	95.3	Very high	94.5	Very high	86 Å²	86	71.7 Å²	71.7	60%	0.601	39%	0.392	S	S	*	.	H	α-helix	trans	-80	-28.1	-179.1	-60.4	0	0	0	0	113.3	Q61 F62 P67	Q61-S65 PolarHBondContact O-N 2.8Å; Q61-S65 VanDerWaalsContact O-N 3.09Å; Q61-S65 PolarHBondContact O-OG 3.03Å; F62-S65 PolarHBondContact O-N 3.47Å; S65-P67 VanDerWaalsContact C-CD 3.47Å; S65-P67 WeakPolarHBondContact O-CD 3.41Å
66	H	93.8	Very high	94.4	Very high	89 Å²	89	70.9 Å²	70.9	41%	0.412	40%	0.399	S	S	.	.			trans	-128.7	61.9	-175.3	-57.8	94.9	0	0	0	112	F62 N68 Y69	F62-H66 HydrophobicContact CD1-CB 4.44Å; F62-H66 AromaticContact CD2-ND1 3.77Å; F62-H66 HydrophobicContact CE1-CB 3.87Å; F62-H66 HydrophobicContact CE2-CB 4.24Å; F62-H66 AromaticContact CE2-CG 3.95Å; F62-H66 AromaticContact CE2-ND1 3.53Å; F62-H66 HydrophobicContact CZ-CB 3.72Å; F62-H66 AromaticContact CZ-CG 3.89Å; F62-H66 AromaticContact CZ-ND1 3.93Å; F62-H66 PolarHBondContact O-N 3.29Å; H66-N68 PolarHBondContact O-N 2.86Å; H66-Y69 HydrophobicContact CB-CD2 4.05Å; H66-Y69 PolarHBondContact O-N 2.92Å
67	P	92.5	Very high	94.5	Very high	99 Å²	99	71.1 Å²	71.1	64%	0.643	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-16	-171.8	26.8	-36.6	0	0	0	114.4	P63 S65 Y69	P63-P67 WeakPolarHBondContact O-CA 3.43Å; S65-P67 VanDerWaalsContact C-CD 3.47Å; S65-P67 WeakPolarHBondContact O-CD 3.41Å; P67-Y69 VanDerWaalsContact C-N 3.3Å
68	N	91.4	Very high	94.5	Very high	130 Å²	130	67 Å²	67	70%	0.695	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-3.4	179	-64	-32.7	0	0	0	113.6	H66	H66-N68 PolarHBondContact O-N 2.86Å
69	Y	93.8	Very high	94.4	Very high	76 Å²	76	70 Å²	70	30%	0.298	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	147.1	179.3	-77.2	-103.9	0	0	0	111.7	R47 I49 F62 H66 P67	R47-Y69 HydrophobicContact CB-CD1 3.42Å; R47-Y69 VanDerWaalsContact CB-CD1 3.42Å; R47-Y69 HydrophobicContact CB-CE1 3.35Å; R47-Y69 HydrophobicContact CB-CE2 4.45Å; R47-Y69 HydrophobicContact CB-CG 4.07Å; R47-Y69 VanDerWaalsContact CD-CZ 3.48Å; R47-Y69 WeakPolarHBondContact CD-OH 3.23Å; R47-Y69 HydrophobicContact CG-CE1 4.22Å; R47-Y69 PolarHBondContact NH1-OH 3.42Å; R47-Y69 CarbonylContact O-C 3.57Å; R47-Y69 WeakPolarHBondContact O-CA 3.09Å; R47-Y69 WeakPolarHBondContact O-CD1 3.47Å; I49-Y69 HydrophobicContact CD1-CD1 3.2Å; I49-Y69 HydrophobicContact CD1-CE1 3.53Å; I49-Y69 HydrophobicContact CD1-CG 3.95Å; I49-Y69 HydrophobicContact CG1-CD1 3.7Å; I49-Y69 HydrophobicContact CG1-CE1 4.08Å; F62-Y69 HydrophobicContact CZ-CG 4.44Å; H66-Y69 HydrophobicContact CB-CD2 4.05Å; H66-Y69 PolarHBondContact O-N 2.92Å; P67-Y69 VanDerWaalsContact C-N 3.3Å
70	I	94.2	Very high	94.3	Very high	58 Å²	58	68.9 Å²	68.9	30%	0.297	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	119.1	166.2	-58.1	170.4	0	0	0	107.5	K46 R47 S48 I49 Y72	K46-I70 HydrophobicContact CB-CD1 3.55Å; K46-I70 HydrophobicContact CB-CG1 3.95Å; K46-I70 HydrophobicContact CD-CD1 3.68Å; K46-I70 HydrophobicContact CD-CG1 3.95Å; K46-I70 HydrophobicContact CG-CD1 4.26Å; R47-I70 PolarHBondContact O-N 3.39Å; S48-I70 CarbonylContact C-O 3.53Å; S48-I70 WeakPolarHBondContact CA-O 3.23Å; I49-I70 PolarHBondContact N-O 2.85Å; I70-Y72 HydrophobicContact CB-CE2 4.14Å; I70-Y72 HydrophobicContact CG2-CD2 4.12Å; I70-Y72 HydrophobicContact CG2-CE1 4.46Å; I70-Y72 HydrophobicContact CG2-CE2 3.48Å; I70-Y72 VanDerWaalsContact CG2-CE2 3.48Å
71	L	95.6	Very high	94.1	Very high	42 Å²	42	66 Å²	66	22%	0.22	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	121.5	177.2	-172.5	65.5	0	0	0	110.6	I49 L51 F59 F62 P63	I49-L71 HydrophobicContact CB-CD1 4.46Å; I49-L71 HydrophobicContact CG2-CD1 4.1Å; L51-L71 HydrophobicContact CB-CD1 3.61Å; L51-L71 HydrophobicContact CD2-CD1 4.13Å; L51-L71 HydrophobicContact CD2-CD2 4.3Å; F59-L71 HydrophobicContact CD1-CD2 3.78Å; F59-L71 HydrophobicContact CD1-CG 4.41Å; F59-L71 HydrophobicContact CE1-CD2 4.28Å; F59-L71 HydrophobicContact CE1-CG 4.48Å; F62-L71 HydrophobicContact CB-CD2 4.16Å; F62-L71 HydrophobicContact CD1-CB 4.23Å; F62-L71 HydrophobicContact CD1-CD1 3.71Å; F62-L71 HydrophobicContact CD1-CD2 3.99Å; F62-L71 HydrophobicContact CD1-CG 4.2Å; F62-L71 HydrophobicContact CE1-CD1 4.09Å; F62-L71 HydrophobicContact CG-CD1 4.25Å; F62-L71 HydrophobicContact CG-CD2 4.38Å; P63-L71 HydrophobicContact CG-CD2 3.89Å
72	Y	96.4	Very high	93.8	Very high	121 Å²	121	64.4 Å²	64.4	48%	0.475	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	151	167.4	-62.6	-86.7	0	0	0	109.5	I49 Y50 L51 I70	I49-Y72 WeakPolarHBondContact O-CB 3.1Å; I49-Y72 PolarHBondContact O-N 3.49Å; Y50-Y72 WeakPolarHBondContact CA-O 3.3Å; L51-Y72 PolarHBondContact N-O 2.99Å; I70-Y72 HydrophobicContact CB-CE2 4.14Å; I70-Y72 HydrophobicContact CG2-CD2 4.12Å; I70-Y72 HydrophobicContact CG2-CE1 4.46Å; I70-Y72 HydrophobicContact CG2-CE2 3.48Å; I70-Y72 VanDerWaalsContact CG2-CE2 3.48Å
73	G	94.9	Very high	93.6	Very high	30 Å²	30	69 Å²	69	31%	0.309	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	144.1	-171.9	-179.2	0	0	0	0	0	109.8
74	S	95	Very high	93.4	Very high	34 Å²	34	75.8 Å²	75.8	24%	0.238	41%	0.411	C	S	.	.			trans	-141.3	115.7	178.5	175.9	0	0	0	0	110.7	G76 R77 S78	S74-G76 PolarHBondContact O-N 2.88Å; S74-G76 PolarHBondContact OG-N 2.94Å; S74-R77 VanDerWaalsContact CB-CZ 3.42Å; S74-R77 VanDerWaalsContact CB-NH1 3.29Å; S74-R77 PolarHBondContact O-N 3.27Å; S74-R77 PolarHBondContact OG-N 3.11Å; S74-S78 PolarHBondContact O-N 3.1Å
75	P	94.1	Very high	93.1	Very high	59 Å²	59	73.9 Å²	73.9	38%	0.383	40%	0.399	S	S	.	.	H	α-helix	trans	-53.5	-37	169.9	-22.7	29.9	0	0	0	111.6	F59 R77 S78 H79	F59-P75 HydrophobicContact CB-CB 4.45Å; F59-P75 HydrophobicContact CB-CG 3.82Å; F59-P75 HydrophobicContact CD1-CG 4Å; F59-P75 HydrophobicContact CD2-CB 4.25Å; F59-P75 HydrophobicContact CD2-CG 4.1Å; F59-P75 HydrophobicContact CG-CB 4.3Å; F59-P75 HydrophobicContact CG-CG 3.68Å; P75-R77 VanDerWaalsContact C-N 3.31Å; P75-R77 PolarHBondContact O-N 3.19Å; P75-S78 WeakPolarHBondContact O-CB 3.46Å; P75-S78 PolarHBondContact O-N 3.35Å; P75-H79 PolarHBondContact O-N 2.75Å; P75-H79 PolarHBondContact O-ND1 2.69Å
76	G	93.9	Very high	92.8	Very high	45 Å²	45	74.4 Å²	74.4	46%	0.464	39%	0.388	S	S	.	.	H	α-helix	trans	-63.7	-33.7	178.5	0	0	0	0	0	113.5	S74 S80	S74-G76 PolarHBondContact O-N 2.88Å; S74-G76 PolarHBondContact OG-N 2.94Å; G76-S80 PolarHBondContact O-N 3.33Å
77	R	94.7	Very high	92.7	Very high	36 Å²	36	79.3 Å²	79.3	14%	0.136	41%	0.408	C	S	.	.	H	α-helix	trans	-69.8	-41.7	173.3	-67.8	-161.8	-54.4	-87.3	-10.9	111.1	Y50 S74 P75 H79 S80 A81 N94 D98	Y50-R77 VanDerWaalsContact OH-CZ 3.27Å; Y50-R77 PolarHBondContact OH-NH2 3.34Å; S74-R77 VanDerWaalsContact CB-CZ 3.42Å; S74-R77 VanDerWaalsContact CB-NH1 3.29Å; S74-R77 PolarHBondContact O-N 3.27Å; S74-R77 PolarHBondContact OG-N 3.11Å; P75-R77 VanDerWaalsContact C-N 3.31Å; P75-R77 PolarHBondContact O-N 3.19Å; R77-H79 PolarHBondContact O-N 2.85Å; R77-S80 WeakPolarHBondContact O-CB 3.32Å; R77-S80 PolarHBondContact O-N 2.94Å; R77-S80 PolarHBondContact O-OG 3.46Å; R77-A81 PolarHBondContact O-N 3.28Å; R77-N94 HydrophobicContact CB-CB 4.06Å; R77-N94 HydrophobicContact CG-CB 3.75Å; R77-D98 IonicContact CZ-OD1 3.89Å; R77-D98 VanDerWaalsContact NE-CG 3.32Å; R77-D98 IonicContact NE-OD1 2.84Å; R77-D98 PolarHBondContact NE-OD1 3.16Å; R77-D98 IonicContact NE-OD2 2.77Å; R77-D98 PolarHBondContact NE-OD2 3.04Å; R77-D98 IonicContact NH2-OD1 2.91Å; R77-D98 PolarHBondContact NH2-OD1 2.62Å
78	S	94.9	Very high	92.8	Very high	1 Å²	1	77.2 Å²	77.2	1%	0.007	39%	0.393	C	S	.	.	H	α-helix	trans	-58.6	-45.2	174	-61.1	0	0	0	0	112.9	T53 F59 S74 P75 S80 A81	T53-S78 WeakPolarHBondContact CG2-OG 3.2Å; T53-S78 VanDerWaalsContact O-CA 3.28Å; T53-S78 WeakPolarHBondContact O-CA 3.49Å; T53-S78 WeakPolarHBondContact O-CB 3.34Å; T53-S78 PolarHBondContact O-OG 3.27Å; F59-S78 VanDerWaalsContact CE2-OG 3.26Å; F59-S78 WeakPolarHBondContact CE2-OG 3.48Å; S74-S78 PolarHBondContact O-N 3.1Å; P75-S78 WeakPolarHBondContact O-CB 3.46Å; P75-S78 PolarHBondContact O-N 3.35Å; S78-S80 PolarHBondContact O-N 2.95Å; S78-A81 WeakPolarHBondContact O-CB 3.43Å; S78-A81 PolarHBondContact O-N 2.62Å
79	H	93.1	Very high	92.9	Very high	110 Å²	110	79.4 Å²	79.4	51%	0.509	39%	0.393	S	S	.	.	H	α-helix	trans	-58.4	-36.5	174.5	-72.9	88.9	0	0	0	112.4	P56 P75 R77 A81 D82	P56-H79 WeakPolarHBondContact CB-CE1 3.29Å; P75-H79 PolarHBondContact O-N 2.75Å; P75-H79 PolarHBondContact O-ND1 2.69Å; R77-H79 PolarHBondContact O-N 2.85Å; H79-A81 PolarHBondContact O-N 3.15Å; H79-D82 WeakPolarHBondContact O-CB 3.34Å; H79-D82 PolarHBondContact O-N 3.16Å
80	S	92.5	Very high	92.8	Very high	5 Å²	5	80.1 Å²	80.1	4%	0.035	40%	0.402	C	S	.	.	H	α-helix	trans	-70.4	-17.8	179	77.6	0	0	0	0	113.7	G76 R77 S78 M85 S91 N94	G76-S80 PolarHBondContact O-N 3.33Å; R77-S80 WeakPolarHBondContact O-CB 3.32Å; R77-S80 PolarHBondContact O-N 2.94Å; R77-S80 PolarHBondContact O-OG 3.46Å; S78-S80 PolarHBondContact O-N 2.95Å; S80-M85 CarbonylContact O-C 3.47Å; S80-S91 VanDerWaalsContact O-CB 3.26Å; S80-S91 WeakPolarHBondContact O-CB 3.11Å; S80-S91 PolarHBondContact O-OG 2.69Å; S80-N94 WeakPolarHBondContact CB-ND2 3.28Å; S80-N94 WeakPolarHBondContact OG-CB 3.2Å; S80-N94 PolarHBondContact OG-ND2 3.3Å
81	A	91.8	Very high	92.8	Very high	24 Å²	24	77.6 Å²	77.6	20%	0.198	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-6.8	177.3	0	0	0	0	0	113.6	D54 R77 S78 H79 L83 R86	D54-A81 HydrophobicContact CB-CB 3.61Å; R77-A81 PolarHBondContact O-N 3.28Å; S78-A81 WeakPolarHBondContact O-CB 3.43Å; S78-A81 PolarHBondContact O-N 2.62Å; H79-A81 PolarHBondContact O-N 3.15Å; A81-L83 PolarHBondContact O-N 2.78Å; A81-R86 VanDerWaalsContact O-CZ 3.28Å; A81-R86 PolarHBondContact O-NE 2.82Å; A81-R86 PolarHBondContact O-NH2 3.12Å
82	D	89.9	Confident	92.7	Very high	77 Å²	77	83.4 Å²	83.4	41%	0.412	41%	0.409	S	S	.	.	S	Bend	trans	-52.2	139.1	171.7	-175.5	-54.4	0	0	0	110.3	H79 K84 M85 R86	H79-D82 WeakPolarHBondContact O-CB 3.34Å; H79-D82 PolarHBondContact O-N 3.16Å; D82-K84 PolarHBondContact O-N 3.34Å; D82-K84 WeakPolarHBondContact OD1-CB 3.39Å; D82-K84 PolarHBondContact OD1-N 2.81Å; D82-M85 PolarHBondContact O-N 3.4Å; D82-R86 WeakPolarHBondContact O-CB 3.12Å; D82-R86 PolarHBondContact O-N 3.33Å
83	L	89.4	Confident	92.7	Very high	141 Å²	141	80.2 Å²	80.2	74%	0.738	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.1	-32.1	179.9	-69.6	172.2	0	0	0	113.6	A81	A81-L83 PolarHBondContact O-N 2.78Å
84	K	89.3	Confident	92.8	Very high	194 Å²	194	79.9 Å²	79.9	84%	0.843	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-33.5	178.3	-65.6	176.3	-178.2	172.4	0	113.4	D82	D82-K84 PolarHBondContact O-N 3.34Å; D82-K84 WeakPolarHBondContact OD1-CB 3.39Å; D82-K84 PolarHBondContact OD1-N 2.81Å
85	M	87.9	Confident	92.8	Very high	94 Å²	94	80 Å²	80	46%	0.463	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-10.2	-174.7	-58.6	-167	73.3	0	0	113.4	S80 D82 K87 T88 S91	S80-M85 CarbonylContact O-C 3.47Å; D82-M85 PolarHBondContact O-N 3.4Å; M85-K87 PolarHBondContact O-N 2.82Å; M85-T88 WeakPolarHBondContact O-CB 3.27Å; M85-T88 VanDerWaalsContact O-CG2 3.29Å; M85-T88 WeakPolarHBondContact O-CG2 3.43Å; M85-T88 PolarHBondContact O-N 3.45Å; M85-T88 PolarHBondContact O-OG1 2.96Å; M85-S91 VanDerWaalsContact O-CB 3.28Å; M85-S91 WeakPolarHBondContact O-CB 3.34Å
86	R	89.6	Confident	92.9	Very high	98 Å²	98	81.8 Å²	81.8	37%	0.37	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-25.7	-172.7	-168.3	175.5	-69	-166.7	-7.2	115	D54 A81 D82 S91 W92	D54-R86 IonicContact OD2-CZ 3.98Å; D54-R86 IonicContact OD2-NH2 3.59Å; D54-R86 PolarHBondContact OD2-NH2 3.03Å; A81-R86 VanDerWaalsContact O-CZ 3.28Å; A81-R86 PolarHBondContact O-NE 2.82Å; A81-R86 PolarHBondContact O-NH2 3.12Å; D82-R86 WeakPolarHBondContact O-CB 3.12Å; D82-R86 PolarHBondContact O-N 3.33Å; R86-S91 WeakPolarHBondContact CA-OG 3.01Å; R86-S91 PolarHBondContact O-OG 3.25Å; R86-W92 PolarHBondContact O-NE1 2.97Å
87	K	91.9	Very high	93	Very high	192 Å²	192	83.5 Å²	83.5	84%	0.835	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	9.9	-179.7	-63.3	-174.5	178.2	-179.9	0	114.1	M85	M85-K87 PolarHBondContact O-N 2.82Å
88	T	93.8	Very high	93.2	Very high	55 Å²	55	82.5 Å²	82.5	34%	0.337	40%	0.395	S	S	.	.	S	Bend	trans	-86.1	151.8	176.8	63.6	0	0	0	0	111.2	M85 N90 S91 W92	M85-T88 WeakPolarHBondContact O-CB 3.27Å; M85-T88 VanDerWaalsContact O-CG2 3.29Å; M85-T88 WeakPolarHBondContact O-CG2 3.43Å; M85-T88 PolarHBondContact O-N 3.45Å; M85-T88 PolarHBondContact O-OG1 2.96Å; T88-N90 PolarHBondContact O-N 3.21Å; T88-S91 WeakPolarHBondContact O-CB 3.07Å; T88-S91 PolarHBondContact O-N 3.1Å; T88-S91 WeakPolarHBondContact OG1-CB 3.19Å; T88-S91 PolarHBondContact OG1-N 3.15Å; T88-W92 PolarHBondContact O-N 3.23Å; T88-W92 VanDerWaalsContact O-N 3.1Å
89	Y	93.5	Very high	93.3	Very high	176 Å²	176	82.9 Å²	82.9	69%	0.69	40%	0.397	S	S	*	.	H	α-helix	trans	-53.8	-40.6	174.6	176.6	-103.9	0	0	0	112.6	S91 W92 N93	Y89-S91 PolarHBondContact O-N 2.93Å; Y89-W92 PolarHBondContact O-N 2.9Å; Y89-N93 WeakPolarHBondContact CE1-ND2 3.38Å; Y89-N93 PolarHBondContact O-N 3.02Å; Y89-N93 PolarHBondContact OH-ND2 2.86Å
90	N	93.2	Very high	93.5	Very high	90 Å²	90	81.6 Å²	81.6	48%	0.481	39%	0.393	S	S	.	.	H	α-helix	trans	-62.8	-41.8	177.4	-170.7	51.9	0	0	0	112.1	T88 W92 N93 N94	T88-N90 PolarHBondContact O-N 3.21Å; N90-W92 VanDerWaalsContact C-N 3.33Å; N90-W92 PolarHBondContact O-N 2.87Å; N90-N93 PolarHBondContact O-N 3.2Å; N90-N94 WeakPolarHBondContact O-CB 3.3Å; N90-N94 PolarHBondContact O-N 3.07Å; N90-N94 PolarHBondContact O-ND2 2.75Å
91	S	94.1	Very high	93.7	Very high	6 Å²	6	82.6 Å²	82.6	4%	0.042	40%	0.401	C	S	.	.	H	α-helix	trans	-62.2	-41.3	176.5	-170.8	0	0	0	0	111.9	S80 M85 R86 T88 Y89 N94 A95	S80-S91 VanDerWaalsContact O-CB 3.26Å; S80-S91 WeakPolarHBondContact O-CB 3.11Å; S80-S91 PolarHBondContact O-OG 2.69Å; M85-S91 VanDerWaalsContact O-CB 3.28Å; M85-S91 WeakPolarHBondContact O-CB 3.34Å; R86-S91 WeakPolarHBondContact CA-OG 3.01Å; R86-S91 PolarHBondContact O-OG 3.25Å; T88-S91 WeakPolarHBondContact O-CB 3.07Å; T88-S91 PolarHBondContact O-N 3.1Å; T88-S91 WeakPolarHBondContact OG1-CB 3.19Å; T88-S91 PolarHBondContact OG1-N 3.15Å; Y89-S91 PolarHBondContact O-N 2.93Å; S91-N94 PolarHBondContact O-N 3.43Å; S91-A95 WeakPolarHBondContact O-CB 3.25Å; S91-A95 PolarHBondContact O-N 2.84Å
92	W	93.7	Very high	94	Very high	163 Å²	163	82.4 Å²	82.4	62%	0.617	40%	0.397	S	S	*	.	H	α-helix	trans	-64.1	-46.7	177	-69.1	8.8	0	0	0	112.1	R86 T88 Y89 N90 N94 A95 I96	R86-W92 PolarHBondContact O-NE1 2.97Å; T88-W92 PolarHBondContact O-N 3.23Å; T88-W92 VanDerWaalsContact O-N 3.1Å; Y89-W92 PolarHBondContact O-N 2.9Å; N90-W92 VanDerWaalsContact C-N 3.33Å; N90-W92 PolarHBondContact O-N 2.87Å; W92-N94 VanDerWaalsContact C-N 3.3Å; W92-N94 PolarHBondContact O-N 3.29Å; W92-A95 PolarHBondContact O-N 3.1Å; W92-I96 WeakPolarHBondContact O-CG1 3.3Å; W92-I96 PolarHBondContact O-N 2.67Å
93	N	95.4	Very high	94.4	Very high	55 Å²	55	78.9 Å²	78.9	29%	0.294	38%	0.378	S	S	.	.	H	α-helix	trans	-59.8	-42.2	175.7	-77.9	-9.8	0	0	0	111.9	Y89 N90 I96 I97	Y89-N93 WeakPolarHBondContact CE1-ND2 3.38Å; Y89-N93 PolarHBondContact O-N 3.02Å; Y89-N93 PolarHBondContact OH-ND2 2.86Å; N90-N93 PolarHBondContact O-N 3.2Å; N93-I96 PolarHBondContact O-N 2.79Å; N93-I97 WeakPolarHBondContact O-CG1 3.3Å; N93-I97 PolarHBondContact O-N 2.81Å
94	N	96.2	Very high	94.6	Very high	23 Å²	23	78.3 Å²	78.3	12%	0.123	37%	0.373	C	S	.	.	H	α-helix	trans	-64.3	-42.2	177.3	-72.5	-21.8	0	0	0	112.1	R77 S80 N90 S91 W92 I96 I97 D98	R77-N94 HydrophobicContact CB-CB 4.06Å; R77-N94 HydrophobicContact CG-CB 3.75Å; S80-N94 WeakPolarHBondContact CB-ND2 3.28Å; S80-N94 WeakPolarHBondContact OG-CB 3.2Å; S80-N94 PolarHBondContact OG-ND2 3.3Å; N90-N94 WeakPolarHBondContact O-CB 3.3Å; N90-N94 PolarHBondContact O-N 3.07Å; N90-N94 PolarHBondContact O-ND2 2.75Å; S91-N94 PolarHBondContact O-N 3.43Å; W92-N94 VanDerWaalsContact C-N 3.3Å; W92-N94 PolarHBondContact O-N 3.29Å; N94-I96 VanDerWaalsContact C-N 3.35Å; N94-I96 PolarHBondContact O-N 2.87Å; N94-I97 PolarHBondContact O-N 3.17Å; N94-D98 PolarHBondContact O-N 2.84Å
95	A	95.2	Very high	94.9	Very high	37 Å²	37	70.4 Å²	70.4	31%	0.306	34%	0.341	S	S	.	.	H	α-helix	trans	-62.7	-40.1	175.1	0	0	0	0	0	112.1	S91 W92 D98 V99	S91-A95 WeakPolarHBondContact O-CB 3.25Å; S91-A95 PolarHBondContact O-N 2.84Å; W92-A95 PolarHBondContact O-N 3.1Å; A95-D98 PolarHBondContact O-N 2.74Å; A95-V99 WeakPolarHBondContact O-CG2 3.44Å; A95-V99 PolarHBondContact O-N 3.16Å
96	I	96.4	Very high	95.2	Very high	96 Å²	96	72.3 Å²	72.3	49%	0.492	35%	0.353	S	S	.	.	H	α-helix	trans	-61.8	-44	174.9	-68.9	165.5	0	0	0	110.8	W92 N93 N94 D98 V99 I100	W92-I96 WeakPolarHBondContact O-CG1 3.3Å; W92-I96 PolarHBondContact O-N 2.67Å; N93-I96 PolarHBondContact O-N 2.79Å; N94-I96 VanDerWaalsContact C-N 3.35Å; N94-I96 PolarHBondContact O-N 2.87Å; I96-D98 VanDerWaalsContact C-N 3.33Å; I96-D98 PolarHBondContact O-N 1.99Å; I96-V99 PolarHBondContact O-N 2.92Å; I96-I100 HydrophobicContact CG2-CD1 3.8Å; I96-I100 HydrophobicContact CG2-CG1 4.47Å; I96-I100 WeakPolarHBondContact O-CG1 3.45Å; I96-I100 PolarHBondContact O-N 3.19Å
97	I	97.2	Very high	95.5	Very high	81 Å²	81	72.6 Å²	72.6	42%	0.415	36%	0.358	S	S	.	.	H	α-helix	trans	-60.4	-44.6	176.4	-68.6	164.4	0	0	0	110.6	N93 N94 I100 A101	N93-I97 WeakPolarHBondContact O-CG1 3.3Å; N93-I97 PolarHBondContact O-N 2.81Å; N94-I97 PolarHBondContact O-N 3.17Å; I97-I100 PolarHBondContact O-N 3.04Å; I97-A101 VanDerWaalsContact O-CB 3.31Å; I97-A101 WeakPolarHBondContact O-CB 3.5Å; I97-A101 PolarHBondContact O-N 3.35Å
98	D	97.7	Very high	95.8	Very high	15 Å²	15	63.6 Å²	63.6	8%	0.08	32%	0.319	C	S	.	.	H	α-helix	trans	-63.5	-41.9	177.5	-76.4	-35.3	0	0	0	112.2	Y50 A52 R77 N94 A95 I96 A101 L102	Y50-D98 PolarHBondContact OH-OD1 3.15Å; A52-D98 HydrophobicContact CB-CB 3.86Å; R77-D98 IonicContact CZ-OD1 3.89Å; R77-D98 VanDerWaalsContact NE-CG 3.32Å; R77-D98 IonicContact NE-OD1 2.84Å; R77-D98 PolarHBondContact NE-OD1 3.16Å; R77-D98 IonicContact NE-OD2 2.77Å; R77-D98 PolarHBondContact NE-OD2 3.04Å; R77-D98 IonicContact NH2-OD1 2.91Å; R77-D98 PolarHBondContact NH2-OD1 2.62Å; N94-D98 PolarHBondContact O-N 2.84Å; A95-D98 PolarHBondContact O-N 2.74Å; I96-D98 VanDerWaalsContact C-N 3.33Å; I96-D98 PolarHBondContact O-N 1.99Å; D98-A101 PolarHBondContact O-N 3.17Å; D98-L102 WeakPolarHBondContact O-CB 3.36Å; D98-L102 WeakPolarHBondContact O-CG 3.18Å; D98-L102 PolarHBondContact O-N 3.25Å
99	V	98	Very high	96	Very high	8 Å²	8	65.5 Å²	65.5	5%	0.048	33%	0.33	C	S	.	.	H	α-helix	trans	-59.8	-48.2	175.3	168.3	0	0	0	0	111.6	A95 I96 L102 S103 I116 L119 A120 L123	A95-V99 WeakPolarHBondContact O-CG2 3.44Å; A95-V99 PolarHBondContact O-N 3.16Å; I96-V99 PolarHBondContact O-N 2.92Å; V99-L102 PolarHBondContact O-N 3.32Å; V99-S103 PolarHBondContact O-N 3.26Å; V99-I116 HydrophobicContact CG2-CD1 4Å; V99-I116 HydrophobicContact CG2-CG2 3.84Å; V99-L119 HydrophobicContact CG1-CD2 3.96Å; V99-L119 HydrophobicContact CG1-CG 3.88Å; V99-L119 HydrophobicContact CG2-CD2 4.3Å; V99-A120 HydrophobicContact CG1-CB 4.45Å; V99-L123 HydrophobicContact CG1-CD1 3.49Å; V99-L123 VanDerWaalsContact CG1-CD1 3.49Å
100	I	97.4	Very high	96.2	Very high	84 Å²	84	58.3 Å²	58.3	43%	0.431	31%	0.305	S	S	.	.	H	α-helix	trans	-63.2	-45.2	179.3	-67.5	167.6	0	0	0	110.4	I96 I97 L102 S103 M104	I96-I100 HydrophobicContact CG2-CD1 3.8Å; I96-I100 HydrophobicContact CG2-CG1 4.47Å; I96-I100 WeakPolarHBondContact O-CG1 3.45Å; I96-I100 PolarHBondContact O-N 3.19Å; I97-I100 PolarHBondContact O-N 3.04Å; I100-L102 VanDerWaalsContact C-N 3.34Å; I100-L102 PolarHBondContact O-N 2.95Å; I100-S103 PolarHBondContact O-N 2.84Å; I100-S103 PolarHBondContact O-OG 3.2Å; I100-M104 HydrophobicContact CG2-SD 3.9Å; I100-M104 VanDerWaalsContact O-CG 3.26Å; I100-M104 WeakPolarHBondContact O-CG 3.5Å; I100-M104 PolarHBondContact O-N 3.27Å
101	A	97.2	Very high	96.3	Very high	25 Å²	25	56.4 Å²	56.4	21%	0.207	30%	0.297	C	S	.	.	H	α-helix	trans	-65.3	-38.9	180	0	0	0	0	0	112.2	Y50 I97 D98 M104 T105	Y50-A101 HydrophobicContact CD1-CB 4.07Å; Y50-A101 HydrophobicContact CD2-CB 4.05Å; Y50-A101 HydrophobicContact CE1-CB 3.5Å; Y50-A101 VanDerWaalsContact CE1-CB 3.5Å; Y50-A101 HydrophobicContact CE2-CB 3.46Å; Y50-A101 VanDerWaalsContact CE2-CB 3.46Å; Y50-A101 HydrophobicContact CG-CB 4.31Å; Y50-A101 VanDerWaalsContact OH-CB 3.26Å; Y50-A101 WeakPolarHBondContact OH-CB 3.42Å; I97-A101 VanDerWaalsContact O-CB 3.31Å; I97-A101 WeakPolarHBondContact O-CB 3.5Å; I97-A101 PolarHBondContact O-N 3.35Å; D98-A101 PolarHBondContact O-N 3.17Å; A101-M104 PolarHBondContact O-N 3.23Å; A101-T105 WeakPolarHBondContact O-CG2 3.22Å
102	L	98.1	Very high	96.4	Very high	20 Å²	20	56.4 Å²	56.4	11%	0.105	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-42.5	173.2	-72.8	170.7	0	0	0	111.8	Y50 A52 D98 V99 I100 M104 T105 L108 I116 A120	Y50-L102 HydrophobicContact CD1-CD2 4Å; Y50-L102 HydrophobicContact CD1-CG 4.28Å; Y50-L102 HydrophobicContact CE1-CG 4.38Å; A52-L102 HydrophobicContact CB-CD1 3.88Å; A52-L102 HydrophobicContact CB-CD2 4.24Å; A52-L102 HydrophobicContact CB-CG 4.16Å; D98-L102 WeakPolarHBondContact O-CB 3.36Å; D98-L102 WeakPolarHBondContact O-CG 3.18Å; D98-L102 PolarHBondContact O-N 3.25Å; V99-L102 PolarHBondContact O-N 3.32Å; I100-L102 VanDerWaalsContact C-N 3.34Å; I100-L102 PolarHBondContact O-N 2.95Å; L102-M104 PolarHBondContact O-N 3.24Å; L102-T105 PolarHBondContact O-N 2.88Å; L102-T105 PolarHBondContact O-OG1 3.49Å; L102-L108 HydrophobicContact CB-CD1 4.18Å; L102-L108 HydrophobicContact CD2-CD1 3.88Å; L102-I116 HydrophobicContact CD1-CG2 4.31Å; L102-A120 HydrophobicContact CB-CB 3.59Å; L102-A120 HydrophobicContact CD1-CB 4.24Å
103	S	96.8	Very high	96.5	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-66.6	-20.2	179.6	76.7	0	0	0	0	113.5	V99 I100 A120 H127	V99-S103 PolarHBondContact O-N 3.26Å; I100-S103 PolarHBondContact O-N 2.84Å; I100-S103 PolarHBondContact O-OG 3.2Å; S103-A120 WeakPolarHBondContact CA-O 3.39Å; S103-A120 WeakPolarHBondContact CB-O 3.49Å; S103-H127 PolarHBondContact O-CD2 3.39Å; S103-H127 VanDerWaalsContact O-CD2 3.32Å
104	M	95	Very high	96.5	Very high	129 Å²	129	51.4 Å²	51.4	64%	0.635	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	4	178	-66.9	177.7	71.1	0	0	114	I100 A101 L102	I100-M104 HydrophobicContact CG2-SD 3.9Å; I100-M104 VanDerWaalsContact O-CG 3.26Å; I100-M104 WeakPolarHBondContact O-CG 3.5Å; I100-M104 PolarHBondContact O-N 3.27Å; A101-M104 PolarHBondContact O-N 3.23Å; L102-M104 PolarHBondContact O-N 3.24Å
105	T	95.6	Very high	96.4	Very high	28 Å²	28	55.8 Å²	55.8	17%	0.172	31%	0.313	C	S	.	.	S	Bend	trans	-77.8	154.1	176.6	59.6	0	0	0	0	112.2	A101 L102 F107 M124	A101-T105 WeakPolarHBondContact O-CG2 3.22Å; L102-T105 PolarHBondContact O-N 2.88Å; L102-T105 PolarHBondContact O-OG1 3.49Å; T105-F107 VanDerWaalsContact C-N 3.27Å; T105-F107 PolarHBondContact O-N 3.48Å; T105-M124 VanDerWaalsContact O-CE 3.3Å; T105-M124 WeakPolarHBondContact O-CE 3.34Å
106	D	93.7	Very high	96.4	Very high	134 Å²	134	57.5 Å²	57.5	72%	0.717	32%	0.317	S	S	*	.	S	Bend	trans	-70.6	-23.7	176.2	-56.3	-67	0	0	0	113.1
107	F	96.5	Very high	96.5	Very high	105 Å²	105	53.1 Å²	53.1	46%	0.461	30%	0.295	S	S	.	.	S	Bend	trans	-157.3	131.7	179.6	-166.3	-93.3	0	0	0	110.5	T105 V109 L137 H139	T105-F107 VanDerWaalsContact C-N 3.27Å; T105-F107 PolarHBondContact O-N 3.48Å; F107-V109 HydrophobicContact CD1-CG2 3.84Å; F107-V109 HydrophobicContact CE1-CG2 3.78Å; F107-L137 HydrophobicContact CD2-CB 4.38Å; F107-L137 HydrophobicContact CD2-CD2 4.49Å; F107-H139 HydrophobicContact CE1-CB 3.86Å; F107-H139 HydrophobicContact CZ-CB 3.97Å
108	L	97.2	Very high	96.5	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.016	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.5	-176.3	-174.3	62.1	0	0	0	112	L102 C117 A120 M124 L137 C138 H139	L102-L108 HydrophobicContact CB-CD1 4.18Å; L102-L108 HydrophobicContact CD2-CD1 3.88Å; L108-C117 VanDerWaalsContact CD2-SG 3.58Å; L108-A120 HydrophobicContact CD2-CB 4.41Å; L108-M124 HydrophobicContact CB-CE 3.86Å; L108-L137 PolarHBondContact N-O 2.67Å; L108-C138 HydrophobicContact CB-CB 4.26Å; L108-C138 CarbonylContact O-C 3.59Å; L108-C138 WeakPolarHBondContact O-CA 2.91Å; L108-H139 PolarHBondContact O-N 2.71Å
109	V	97.6	Very high	96.5	Very high	95 Å²	95	53.7 Å²	53.7	58%	0.576	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.8	170.9	-176.9	0	0	0	0	109.2	F107 H139 I141	F107-V109 HydrophobicContact CD1-CG2 3.84Å; F107-V109 HydrophobicContact CE1-CG2 3.78Å; V109-H139 WeakPolarHBondContact CA-O 3.25Å; V109-I141 HydrophobicContact CG1-CG2 4.4Å
110	C	97.5	Very high	96.5	Very high	24 Å²	24	53.3 Å²	53.3	16%	0.162	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	-168.8	-174.9	74.9	0	0	0	0	113.3	C117 H139 S140 I141	C110-C117 HydrophobicContact CB-CB 3.58Å; C110-C117 WeakPolarHBondContact CB-SG 3.48Å; C110-C117 WeakPolarHBondContact SG-CB 3.24Å; C110-C117 CovalentContact SG-SG 1.99Å; C110-C117 PolarHBondContact SG-SG 3.34Å; C110-H139 PolarHBondContact N-O 2.84Å; C110-H139 VanDerWaalsContact N-O 3.1Å; C110-S140 CarbonylContact O-C 3.43Å; C110-S140 WeakPolarHBondContact O-CA 3.17Å; C110-I141 PolarHBondContact O-N 2.77Å
111	T	96.5	Very high	96.5	Very high	51 Å²	51	50 Å²	50	31%	0.313	28%	0.276	S	S	.	.			trans	-103.7	127.4	160.7	46.4	0	0	0	0	110.3	S113 S114 C117 I141 D142	T111-S113 VanDerWaalsContact C-N 3.27Å; T111-S113 PolarHBondContact O-N 2.91Å; T111-S114 VanDerWaalsContact O-CB 3.3Å; T111-S114 WeakPolarHBondContact O-CB 3.44Å; T111-S114 PolarHBondContact O-N 2.87Å; T111-S114 VanDerWaalsContact O-N 3.15Å; T111-C117 WeakPolarHBondContact O-CB 3.42Å; T111-I141 HydrophobicContact CG2-CD1 3.86Å; T111-I141 HydrophobicContact CG2-CG1 3.5Å; T111-I141 VanDerWaalsContact CG2-CG1 3.5Å; T111-D142 VanDerWaalsContact CA-OD1 3.24Å; T111-D142 WeakPolarHBondContact CA-OD1 3.37Å; T111-D142 VanDerWaalsContact CB-OD2 3.22Å; T111-D142 WeakPolarHBondContact CB-OD2 3.31Å; T111-D142 HydrophobicContact CG2-CB 4.27Å
112	F	96.1	Very high	96.5	Very high	6 Å²	6	52.6 Å²	52.6	3%	0.026	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-5.1	174.6	-78.1	-28.9	0	0	0	113.7	S114 C117 R118 Y121 C138 S140 D142 I143 F145	F112-S114 PolarHBondContact O-N 2.74Å; F112-C117 HydrophobicContact CD1-CB 4.39Å; F112-R118 HydrophobicContact CB-CG 4.31Å; F112-R118 HydrophobicContact CD1-CG 3.97Å; F112-R118 HydrophobicContact CG-CG 4.39Å; F112-R118 WeakPolarHBondContact O-CD 3.37Å; F112-R118 PolarHBondContact O-NH1 3.49Å; F112-Y121 HydrophobicContact CE1-CD1 4.42Å; F112-Y121 HydrophobicContact CE1-CG 4.2Å; F112-Y121 HydrophobicContact CZ-CD1 4.15Å; F112-Y121 HydrophobicContact CZ-CD2 4.45Å; F112-Y121 HydrophobicContact CZ-CG 4.08Å; F112-C138 HydrophobicContact CZ-CB 4.09Å; F112-S140 PolarHBondContact N-OG 3.31Å; F112-S140 VanDerWaalsContact N-OG 3.17Å; F112-D142 PolarHBondContact N-OD1 2.98Å; F112-I143 HydrophobicContact CB-CG1 3.98Å; F112-I143 WeakPolarHBondContact CB-O 3.26Å; F112-F145 HydrophobicContact CD1-CD2 4.48Å; F112-F145 HydrophobicContact CD2-CB 3.87Å; F112-F145 HydrophobicContact CD2-CD2 4.42Å; F112-F145 HydrophobicContact CE1-CD2 4.29Å; F112-F145 HydrophobicContact CE2-CB 3.67Å; F112-F145 HydrophobicContact CE2-CD2 4.25Å; F112-F145 HydrophobicContact CE2-CG 4.41Å; F112-F145 HydrophobicContact CZ-CB 4.33Å; F112-F145 HydrophobicContact CZ-CD2 4.17Å
113	S	94.4	Very high	96.5	Very high	72 Å²	72	54.5 Å²	54.5	50%	0.503	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-17.6	160.3	60.1	0	0	0	0	112.9	T111 D142	T111-S113 VanDerWaalsContact C-N 3.27Å; T111-S113 PolarHBondContact O-N 2.91Å; S113-D142 WeakPolarHBondContact CB-OD2 3.26Å; S113-D142 PolarHBondContact N-OD2 3.3Å; S113-D142 PolarHBondContact OG-OD2 3.26Å
114	S	95.6	Very high	96.5	Very high	41 Å²	41	54.4 Å²	54.4	29%	0.287	29%	0.293	S	S	.	.			trans	-85.5	119.6	176	-178.6	0	0	0	0	112.2	T111 F112 I116 C117 R118	T111-S114 VanDerWaalsContact O-CB 3.3Å; T111-S114 WeakPolarHBondContact O-CB 3.44Å; T111-S114 PolarHBondContact O-N 2.87Å; T111-S114 VanDerWaalsContact O-N 3.15Å; F112-S114 PolarHBondContact O-N 2.74Å; S114-I116 PolarHBondContact O-N 3.49Å; S114-I116 PolarHBondContact OG-N 2.66Å; S114-C117 PolarHBondContact O-N 2.96Å; S114-C117 VanDerWaalsContact O-N 3.1Å; S114-R118 PolarHBondContact O-N 3.25Å; S114-R118 VanDerWaalsContact O-N 3.08Å
115	N	94.7	Very high	96.5	Very high	114 Å²	114	51 Å²	51	61%	0.61	28%	0.276	S	S	*	.	H	α-helix	trans	-56.5	-34.3	171	-77.3	-31.6	0	0	0	112.7	C117 R118 L119	N115-C117 VanDerWaalsContact C-N 3.34Å; N115-R118 PolarHBondContact O-N 3.09Å; N115-R118 PolarHBondContact OD1-NH2 3.29Å; N115-L119 VanDerWaalsContact O-CB 3.28Å; N115-L119 WeakPolarHBondContact O-CB 3.49Å; N115-L119 PolarHBondContact O-N 2.85Å
116	I	95.8	Very high	96.5	Very high	73 Å²	73	53.7 Å²	53.7	37%	0.374	29%	0.292	S	S	.	.	H	α-helix	trans	-63	-43.3	177.5	-65.1	-64.8	0	0	0	110.1	V99 L102 S114 A120	V99-I116 HydrophobicContact CG2-CD1 4Å; V99-I116 HydrophobicContact CG2-CG2 3.84Å; L102-I116 HydrophobicContact CD1-CG2 4.31Å; S114-I116 PolarHBondContact O-N 3.49Å; S114-I116 PolarHBondContact OG-N 2.66Å; I116-A120 WeakPolarHBondContact O-CB 3.17Å; I116-A120 PolarHBondContact O-N 2.52Å
117	C	97.6	Very high	96.3	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.034	27%	0.268	C	S	.	.	H	α-helix	trans	-68.4	-45.5	178.2	-174.3	0	0	0	0	112.2	L108 C110 T111 F112 S114 N115 L119 A120 Y121	L108-C117 VanDerWaalsContact CD2-SG 3.58Å; C110-C117 HydrophobicContact CB-CB 3.58Å; C110-C117 WeakPolarHBondContact CB-SG 3.48Å; C110-C117 WeakPolarHBondContact SG-CB 3.24Å; C110-C117 CovalentContact SG-SG 1.99Å; C110-C117 PolarHBondContact SG-SG 3.34Å; T111-C117 WeakPolarHBondContact O-CB 3.42Å; F112-C117 HydrophobicContact CD1-CB 4.39Å; S114-C117 PolarHBondContact O-N 2.96Å; S114-C117 VanDerWaalsContact O-N 3.1Å; N115-C117 VanDerWaalsContact C-N 3.34Å; C117-L119 VanDerWaalsContact C-N 3.3Å; C117-L119 PolarHBondContact O-N 2.83Å; C117-A120 PolarHBondContact O-N 3.18Å; C117-Y121 WeakPolarHBondContact O-CB 3.48Å; C117-Y121 PolarHBondContact O-N 3.47Å
118	R	97.3	Very high	95.8	Very high	28 Å²	28	50.2 Å²	50.2	11%	0.106	27%	0.273	C	S	.	.	H	α-helix	trans	-58.9	-43.7	178.2	-70.5	-169.2	-65.1	-130.7	16.3	111.7	F112 S114 N115 A120 Y121 E122 F145 E148	F112-R118 HydrophobicContact CB-CG 4.31Å; F112-R118 HydrophobicContact CD1-CG 3.97Å; F112-R118 HydrophobicContact CG-CG 4.39Å; F112-R118 WeakPolarHBondContact O-CD 3.37Å; F112-R118 PolarHBondContact O-NH1 3.49Å; S114-R118 PolarHBondContact O-N 3.25Å; S114-R118 VanDerWaalsContact O-N 3.08Å; N115-R118 PolarHBondContact O-N 3.09Å; N115-R118 PolarHBondContact OD1-NH2 3.29Å; R118-A120 PolarHBondContact O-N 3.28Å; R118-Y121 PolarHBondContact O-N 3.08Å; R118-E122 WeakPolarHBondContact O-CB 3.49Å; R118-E122 VanDerWaalsContact O-CG 3.27Å; R118-E122 WeakPolarHBondContact O-CG 3.08Å; R118-E122 PolarHBondContact O-N 2.74Å; R118-F145 HydrophobicContact CB-CE2 4.17Å; R118-F145 HydrophobicContact CG-CD2 4.26Å; R118-F145 HydrophobicContact CG-CE2 4.17Å; R118-E148 IonicContact CZ-OE1 3.16Å; R118-E148 IonicContact NH1-OE1 3.31Å; R118-E148 PolarHBondContact NH1-OE1 2.74Å; R118-E148 IonicContact NH1-OE2 2.74Å; R118-E148 IonicContact NH2-OE1 2.84Å; R118-E148 PolarHBondContact NH2-OE1 2.85Å
119	L	97.5	Very high	95.4	Very high	79 Å²	79	56.7 Å²	56.7	41%	0.414	31%	0.305	S	S	.	.	H	α-helix	trans	-62.1	-43.4	176.5	-177.9	59.8	0	0	0	112.1	V99 N115 C117 Y121 E122 L123	V99-L119 HydrophobicContact CG1-CD2 3.96Å; V99-L119 HydrophobicContact CG1-CG 3.88Å; V99-L119 HydrophobicContact CG2-CD2 4.3Å; N115-L119 VanDerWaalsContact O-CB 3.28Å; N115-L119 WeakPolarHBondContact O-CB 3.49Å; N115-L119 PolarHBondContact O-N 2.85Å; C117-L119 VanDerWaalsContact C-N 3.3Å; C117-L119 PolarHBondContact O-N 2.83Å; L119-Y121 VanDerWaalsContact C-N 3.33Å; L119-Y121 PolarHBondContact O-N 3.1Å; L119-E122 PolarHBondContact O-N 3.34Å; L119-L123 HydrophobicContact CD1-CD1 4.41Å; L119-L123 HydrophobicContact CG-CD1 4.25Å; L119-L123 WeakPolarHBondContact O-CB 3.48Å; L119-L123 WeakPolarHBondContact O-CG 3.45Å; L119-L123 PolarHBondContact O-N 2.68Å
120	A	98.1	Very high	94.9	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.6	-40.5	175.7	0	0	0	0	0	112	V99 L102 S103 L108 I116 C117 R118 L123 M124	V99-A120 HydrophobicContact CG1-CB 4.45Å; L102-A120 HydrophobicContact CB-CB 3.59Å; L102-A120 HydrophobicContact CD1-CB 4.24Å; S103-A120 WeakPolarHBondContact CA-O 3.39Å; S103-A120 WeakPolarHBondContact CB-O 3.49Å; L108-A120 HydrophobicContact CD2-CB 4.41Å; I116-A120 WeakPolarHBondContact O-CB 3.17Å; I116-A120 PolarHBondContact O-N 2.52Å; C117-A120 PolarHBondContact O-N 3.18Å; R118-A120 PolarHBondContact O-N 3.28Å; A120-L123 PolarHBondContact O-N 3.47Å; A120-M124 WeakPolarHBondContact O-CB 3.3Å; A120-M124 PolarHBondContact O-N 3.15Å
121	Y	97.9	Very high	94.3	Very high	15 Å²	15	59.9 Å²	59.9	6%	0.059	31%	0.312	C	S	.	.	H	α-helix	trans	-68.6	-38.8	176.5	178.1	-110.3	0	0	0	113	F112 C117 R118 L119 M124 Q125 T135 C138 F145	F112-Y121 HydrophobicContact CE1-CD1 4.42Å; F112-Y121 HydrophobicContact CE1-CG 4.2Å; F112-Y121 HydrophobicContact CZ-CD1 4.15Å; F112-Y121 HydrophobicContact CZ-CD2 4.45Å; F112-Y121 HydrophobicContact CZ-CG 4.08Å; C117-Y121 WeakPolarHBondContact O-CB 3.48Å; C117-Y121 PolarHBondContact O-N 3.47Å; R118-Y121 PolarHBondContact O-N 3.08Å; L119-Y121 VanDerWaalsContact C-N 3.33Å; L119-Y121 PolarHBondContact O-N 3.1Å; Y121-M124 HydrophobicContact CD2-SD 4.47Å; Y121-M124 VanDerWaalsContact O-CB 3.3Å; Y121-M124 WeakPolarHBondContact O-CB 3.37Å; Y121-M124 PolarHBondContact O-N 3.26Å; Y121-Q125 VanDerWaalsContact CZ-NE2 3.31Å; Y121-Q125 WeakPolarHBondContact O-CG 3.4Å; Y121-Q125 PolarHBondContact O-N 3.32Å; Y121-Q125 PolarHBondContact O-NE2 2.93Å; Y121-T135 VanDerWaalsContact OH-CA 3.28Å; Y121-T135 WeakPolarHBondContact OH-CA 3.41Å; Y121-T135 PolarHBondContact OH-O 3.35Å; Y121-C138 HydrophobicContact CD2-CB 3.66Å; Y121-C138 HydrophobicContact CE2-CB 3.61Å; Y121-C138 WeakPolarHBondContact CE2-SG 3.3Å; Y121-F145 HydrophobicContact CD1-CD1 4.37Å; Y121-F145 AromaticContact CD1-CD2 3.53Å; Y121-F145 HydrophobicContact CD1-CD2 3.53Å; Y121-F145 HydrophobicContact CD1-CE1 4.24Å; Y121-F145 AromaticContact CD1-CE2 3.43Å; Y121-F145 HydrophobicContact CD1-CE2 3.43Å; Y121-F145 VanDerWaalsContact CD1-CE2 3.43Å; Y121-F145 HydrophobicContact CD1-CG 4.03Å; Y121-F145 AromaticContact CD1-CZ 3.79Å; Y121-F145 HydrophobicContact CD1-CZ 3.79Å; Y121-F145 HydrophobicContact CE1-CB 4.48Å; Y121-F145 AromaticContact CE1-CD1 3.89Å; Y121-F145 HydrophobicContact CE1-CD1 3.89Å; Y121-F145 AromaticContact CE1-CD2 3.8Å; Y121-F145 HydrophobicContact CE1-CD2 3.8Å; Y121-F145 AromaticContact CE1-CE1 3.97Å; Y121-F145 HydrophobicContact CE1-CE1 3.97Å; Y121-F145 AromaticContact CE1-CE2 3.95Å; Y121-F145 HydrophobicContact CE1-CE2 3.95Å; Y121-F145 AromaticContact CE1-CG 3.79Å; Y121-F145 HydrophobicContact CE1-CG 3.79Å; Y121-F145 HydrophobicContact CE1-CZ 4.01Å
122	E	97.1	Very high	94	Very high	79 Å²	79	59.2 Å²	59.2	37%	0.369	32%	0.315	S	S	.	.	H	α-helix	trans	-62.5	-44.5	173.7	-74.7	167	179.6	0	0	111.1	R118 L119 M124 Q125 F145 H146	R118-E122 WeakPolarHBondContact O-CB 3.49Å; R118-E122 VanDerWaalsContact O-CG 3.27Å; R118-E122 WeakPolarHBondContact O-CG 3.08Å; R118-E122 PolarHBondContact O-N 2.74Å; L119-E122 PolarHBondContact O-N 3.34Å; E122-M124 VanDerWaalsContact C-N 3.32Å; E122-M124 PolarHBondContact O-N 3.4Å; E122-Q125 WeakPolarHBondContact O-CB 3.46Å; E122-Q125 PolarHBondContact O-N 2.92Å; E122-F145 HydrophobicContact CG-CE2 4.16Å; E122-F145 HydrophobicContact CG-CZ 3.71Å; E122-H146 IonicContact OE1-CE1 3.82Å; E122-H146 IonicContact OE1-NE2 3.45Å; E122-H146 PolarHBondContact OE1-NE2 2.74Å
123	L	97.4	Very high	93.9	Very high	61 Å²	61	64.6 Å²	64.6	32%	0.319	34%	0.344	S	S	.	.	H	α-helix	trans	-63.5	-37.2	172.8	-76.8	165.1	0	0	0	112.1	V99 L119 A120 Q125 T126	V99-L123 HydrophobicContact CG1-CD1 3.49Å; V99-L123 VanDerWaalsContact CG1-CD1 3.49Å; L119-L123 HydrophobicContact CD1-CD1 4.41Å; L119-L123 HydrophobicContact CG-CD1 4.25Å; L119-L123 WeakPolarHBondContact O-CB 3.48Å; L119-L123 WeakPolarHBondContact O-CG 3.45Å; L119-L123 PolarHBondContact O-N 2.68Å; A120-L123 PolarHBondContact O-N 3.47Å; L123-Q125 PolarHBondContact O-N 3.4Å; L123-T126 WeakPolarHBondContact O-CB 3.27Å; L123-T126 PolarHBondContact O-N 2.99Å; L123-T126 PolarHBondContact O-OG1 3.46Å
124	M	96.8	Very high	93.8	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-55.2	-37	175.2	-174.8	-178.2	-79.3	0	0	111.8	T105 L108 A120 Y121 E122 T126 H127 L131 A134 L137	T105-M124 VanDerWaalsContact O-CE 3.3Å; T105-M124 WeakPolarHBondContact O-CE 3.34Å; L108-M124 HydrophobicContact CB-CE 3.86Å; A120-M124 WeakPolarHBondContact O-CB 3.3Å; A120-M124 PolarHBondContact O-N 3.15Å; Y121-M124 HydrophobicContact CD2-SD 4.47Å; Y121-M124 VanDerWaalsContact O-CB 3.3Å; Y121-M124 WeakPolarHBondContact O-CB 3.37Å; Y121-M124 PolarHBondContact O-N 3.26Å; E122-M124 VanDerWaalsContact C-N 3.32Å; E122-M124 PolarHBondContact O-N 3.4Å; M124-T126 PolarHBondContact O-N 2.89Å; M124-T126 VanDerWaalsContact O-N 3.15Å; M124-H127 WeakPolarHBondContact O-CB 3.4Å; M124-H127 PolarHBondContact O-N 3.42Å; M124-H127 VanDerWaalsContact O-N 3.1Å; M124-L131 HydrophobicContact CG-CD1 3.6Å; M124-L131 HydrophobicContact SD-CD1 4.33Å; M124-A134 HydrophobicContact CG-CB 3.92Å; M124-A134 HydrophobicContact SD-CB 4.3Å; M124-L137 HydrophobicContact SD-CB 4.07Å
125	Q	96.4	Very high	93.7	Very high	59 Å²	59	62.1 Å²	62.1	28%	0.276	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.9	177.7	-53	-46.8	-55.3	0	0	113.4	Y121 E122 L123 H127 A134	Y121-Q125 VanDerWaalsContact CZ-NE2 3.31Å; Y121-Q125 WeakPolarHBondContact O-CG 3.4Å; Y121-Q125 PolarHBondContact O-N 3.32Å; Y121-Q125 PolarHBondContact O-NE2 2.93Å; E122-Q125 WeakPolarHBondContact O-CB 3.46Å; E122-Q125 PolarHBondContact O-N 2.92Å; L123-Q125 PolarHBondContact O-N 3.4Å; Q125-H127 VanDerWaalsContact C-N 3.35Å; Q125-A134 PolarHBondContact NE2-O 2.91Å
126	T	95.9	Very high	93.7	Very high	84 Å²	84	64.1 Å²	64.1	52%	0.515	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-20.3	178	74.3	0	0	0	0	112.8	L123 M124 H128	L123-T126 WeakPolarHBondContact O-CB 3.27Å; L123-T126 PolarHBondContact O-N 2.99Å; L123-T126 PolarHBondContact O-OG1 3.46Å; M124-T126 PolarHBondContact O-N 2.89Å; M124-T126 VanDerWaalsContact O-N 3.15Å; T126-H128 PolarHBondContact O-N 3.05Å; T126-H128 PolarHBondContact O-ND1 3.38Å
127	H	88.6	Confident	93.6	Very high	47 Å²	47	62.8 Å²	62.8	22%	0.218	32%	0.323	C	S	.	.			trans	-80	38.8	177.4	-63.9	-65	0	0	0	112.9	S103 M124 Q125 M129 E130 L131	S103-H127 PolarHBondContact O-CD2 3.39Å; S103-H127 VanDerWaalsContact O-CD2 3.32Å; M124-H127 WeakPolarHBondContact O-CB 3.4Å; M124-H127 PolarHBondContact O-N 3.42Å; M124-H127 VanDerWaalsContact O-N 3.1Å; Q125-H127 VanDerWaalsContact C-N 3.35Å; H127-M129 PolarHBondContact O-N 3.19Å; H127-E130 WeakPolarHBondContact CA-OE2 3.27Å; H127-E130 IonicContact ND1-OE2 2.69Å; H127-E130 PolarHBondContact O-N 2.95Å; H127-E130 VanDerWaalsContact O-N 3.15Å; H127-L131 HydrophobicContact CB-CD1 4.15Å; H127-L131 HydrophobicContact CB-CG 4.37Å; H127-L131 PolarHBondContact O-N 3.04Å
128	H	86.7	Confident	93.5	Very high	119 Å²	119	63.8 Å²	63.8	55%	0.551	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-20.2	-177	65	-78.1	0	0	0	113.8	T126 G132	T126-H128 PolarHBondContact O-N 3.05Å; T126-H128 PolarHBondContact O-ND1 3.38Å; H128-G132 WeakPolarHBondContact CA-O 3.46Å; H128-G132 VanDerWaalsContact O-CA 3.27Å; H128-G132 WeakPolarHBondContact O-CA 3.13Å; H128-G132 PolarHBondContact O-N 3.37Å; H128-G132 VanDerWaalsContact O-N 3.16Å
129	M	87.4	Confident	93.4	Very high	139 Å²	139	67.2 Å²	67.2	69%	0.685	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-35.8	175.4	-67.4	-60.7	-61.6	0	0	111.8	H127	H127-M129 PolarHBondContact O-N 3.19Å
130	E	86.8	Confident	93.3	Very high	142 Å²	142	63.8 Å²	63.8	66%	0.664	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-44.7	-179.6	-61	81.1	-174.5	0	0	112.6	H127	H127-E130 WeakPolarHBondContact CA-OE2 3.27Å; H127-E130 IonicContact ND1-OE2 2.69Å; H127-E130 PolarHBondContact O-N 2.95Å; H127-E130 VanDerWaalsContact O-N 3.15Å
131	L	86	Confident	93.1	Very high	44 Å²	44	69.1 Å²	69.1	23%	0.23	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-14.7	-171.8	-62.2	177.7	0	0	0	113.9	M124 H127 A134 L137	M124-L131 HydrophobicContact CG-CD1 3.6Å; M124-L131 HydrophobicContact SD-CD1 4.33Å; H127-L131 HydrophobicContact CB-CD1 4.15Å; H127-L131 HydrophobicContact CB-CG 4.37Å; H127-L131 PolarHBondContact O-N 3.04Å; L131-A134 HydrophobicContact CB-CB 4.34Å; L131-A134 HydrophobicContact CD1-CB 4.4Å; L131-L137 HydrophobicContact CB-CD1 3.97Å; L131-L137 HydrophobicContact CD1-CD1 4.3Å; L131-L137 HydrophobicContact CD2-CD1 4.2Å; L131-L137 HydrophobicContact CG-CD1 4.39Å
132	G	90.6	Very high	92.8	Very high	37 Å²	37	71 Å²	71	38%	0.381	37%	0.368	S	S	.	.	S	Bend	trans	69.6	-132.2	-170.5	0	0	0	0	0	112	H128 A134	H128-G132 WeakPolarHBondContact CA-O 3.46Å; H128-G132 VanDerWaalsContact O-CA 3.27Å; H128-G132 WeakPolarHBondContact O-CA 3.13Å; H128-G132 PolarHBondContact O-N 3.37Å; H128-G132 VanDerWaalsContact O-N 3.16Å; G132-A134 PolarHBondContact O-N 3.28Å
133	D	93.3	Very high	92.5	Very high	119 Å²	119	69.5 Å²	69.5	64%	0.636	36%	0.362	S	S	*	.			trans	-80.6	104	172.8	-177.6	-12.2	0	0	0	109.8	T135	D133-T135 VanDerWaalsContact C-N 3.3Å; D133-T135 PolarHBondContact O-N 3.37Å; D133-T135 WeakPolarHBondContact OD1-CB 3.06Å; D133-T135 WeakPolarHBondContact OD1-CG2 3.22Å; D133-T135 PolarHBondContact OD1-N 3.17Å; D133-T135 PolarHBondContact OD1-OG1 3.01Å
134	A	92.9	Very high	92	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.008	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-87.4	9.6	-177.9	0	0	0	0	0	113.7	M124 Q125 L131 G132 Q136 L137	M124-A134 HydrophobicContact CG-CB 3.92Å; M124-A134 HydrophobicContact SD-CB 4.3Å; Q125-A134 PolarHBondContact NE2-O 2.91Å; L131-A134 HydrophobicContact CB-CB 4.34Å; L131-A134 HydrophobicContact CD1-CB 4.4Å; G132-A134 PolarHBondContact O-N 3.28Å; A134-Q136 PolarHBondContact O-N 3.34Å; A134-Q136 VanDerWaalsContact O-N 3.11Å; A134-L137 HydrophobicContact CB-CB 4.44Å; A134-L137 HydrophobicContact CB-CD1 3.98Å; A134-L137 HydrophobicContact CB-CG 4.38Å; A134-L137 PolarHBondContact O-N 3.05Å; A134-L137 VanDerWaalsContact O-N 3.1Å
135	T	93.7	Very high	91.7	Very high	60 Å²	60	70.5 Å²	70.5	37%	0.368	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-64.1	-19.2	-176.4	56.5	0	0	0	0	114.1	Y121 D133	Y121-T135 VanDerWaalsContact OH-CA 3.28Å; Y121-T135 WeakPolarHBondContact OH-CA 3.41Å; Y121-T135 PolarHBondContact OH-O 3.35Å; D133-T135 VanDerWaalsContact C-N 3.3Å; D133-T135 PolarHBondContact O-N 3.37Å; D133-T135 WeakPolarHBondContact OD1-CB 3.06Å; D133-T135 WeakPolarHBondContact OD1-CG2 3.22Å; D133-T135 PolarHBondContact OD1-N 3.17Å; D133-T135 PolarHBondContact OD1-OG1 3.01Å
136	Q	93.5	Very high	91.2	Very high	155 Å²	155	70 Å²	70	72%	0.724	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-109.9	4.3	178.5	-59.1	-58.1	-57	0	0	113.1	A134 C138	A134-Q136 PolarHBondContact O-N 3.34Å; A134-Q136 VanDerWaalsContact O-N 3.11Å; Q136-C138 PolarHBondContact O-N 2.75Å
137	L	95	Very high	90.6	Very high	45 Å²	45	68.3 Å²	68.3	24%	0.236	35%	0.352	C	S	.	.	S	Bend	trans	-89.8	35.2	-177.5	-59	-176.7	0	0	0	112.4	F107 L108 M124 L131 A134	F107-L137 HydrophobicContact CD2-CB 4.38Å; F107-L137 HydrophobicContact CD2-CD2 4.49Å; L108-L137 PolarHBondContact N-O 2.67Å; M124-L137 HydrophobicContact SD-CB 4.07Å; L131-L137 HydrophobicContact CB-CD1 3.97Å; L131-L137 HydrophobicContact CD1-CD1 4.3Å; L131-L137 HydrophobicContact CD2-CD1 4.2Å; L131-L137 HydrophobicContact CG-CD1 4.39Å; A134-L137 HydrophobicContact CB-CB 4.44Å; A134-L137 HydrophobicContact CB-CD1 3.98Å; A134-L137 HydrophobicContact CB-CG 4.38Å; A134-L137 PolarHBondContact O-N 3.05Å; A134-L137 VanDerWaalsContact O-N 3.1Å
138	C	95.8	Very high	90.2	Very high	26 Å²	26	70.7 Å²	70.7	18%	0.176	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	154.9	178.5	74.3	0	0	0	0	112.7	L108 F112 Y121 Q136	L108-C138 HydrophobicContact CB-CB 4.26Å; L108-C138 CarbonylContact O-C 3.59Å; L108-C138 WeakPolarHBondContact O-CA 2.91Å; F112-C138 HydrophobicContact CZ-CB 4.09Å; Y121-C138 HydrophobicContact CD2-CB 3.66Å; Y121-C138 HydrophobicContact CE2-CB 3.61Å; Y121-C138 WeakPolarHBondContact CE2-SG 3.3Å; Q136-C138 PolarHBondContact O-N 2.75Å
139	H	94.8	Very high	90.1	Very high	101 Å²	101	67.6 Å²	67.6	47%	0.468	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	114.5	167.6	-174.4	74.6	0	0	0	110.1	F107 L108 V109 C110	F107-H139 HydrophobicContact CE1-CB 3.86Å; F107-H139 HydrophobicContact CZ-CB 3.97Å; L108-H139 PolarHBondContact O-N 2.71Å; V109-H139 WeakPolarHBondContact CA-O 3.25Å; C110-H139 PolarHBondContact N-O 2.84Å; C110-H139 VanDerWaalsContact N-O 3.1Å
140	S	95	Very high	89.7	Confident	6 Å²	6	62.7 Å²	62.7	4%	0.042	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	137.8	170.7	164.9	0	0	0	0	110.5	C110 F112 D142 I143 R179	C110-S140 CarbonylContact O-C 3.43Å; C110-S140 WeakPolarHBondContact O-CA 3.17Å; F112-S140 PolarHBondContact N-OG 3.31Å; F112-S140 VanDerWaalsContact N-OG 3.17Å; S140-D142 PolarHBondContact OG-N 2.63Å; S140-D142 PolarHBondContact OG-OD1 3.47Å; S140-I143 VanDerWaalsContact CB-O 3.25Å; S140-I143 WeakPolarHBondContact CB-O 3.46Å; S140-I143 PolarHBondContact OG-O 3.01Å; S140-R179 VanDerWaalsContact O-CZ 3.3Å; S140-R179 PolarHBondContact O-NH1 2.93Å; S140-R179 PolarHBondContact O-NH2 2.82Å
141	I	93.7	Very high	89.1	Confident	113 Å²	113	59.9 Å²	59.9	58%	0.579	32%	0.32	S	S	*	.	S	Bend	trans	-89.8	-7.4	180	67.4	176.4	0	0	0	114.2	V109 C110 T111 R179	V109-I141 HydrophobicContact CG1-CG2 4.4Å; C110-I141 PolarHBondContact O-N 2.77Å; T111-I141 HydrophobicContact CG2-CD1 3.86Å; T111-I141 HydrophobicContact CG2-CG1 3.5Å; T111-I141 VanDerWaalsContact CG2-CG1 3.5Å; I141-R179 PolarHBondContact O-NH1 2.99Å
142	D	92	Very high	88.8	Confident	53 Å²	53	66.9 Å²	66.9	28%	0.283	34%	0.344	S	S	.	.	S	Bend	trans	-118.9	-74.3	-178	59.1	-9.5	0	0	0	113.9	T111 F112 S113 S140 R179	T111-D142 VanDerWaalsContact CA-OD1 3.24Å; T111-D142 WeakPolarHBondContact CA-OD1 3.37Å; T111-D142 VanDerWaalsContact CB-OD2 3.22Å; T111-D142 WeakPolarHBondContact CB-OD2 3.31Å; T111-D142 HydrophobicContact CG2-CB 4.27Å; F112-D142 PolarHBondContact N-OD1 2.98Å; S113-D142 WeakPolarHBondContact CB-OD2 3.26Å; S113-D142 PolarHBondContact N-OD2 3.3Å; S113-D142 PolarHBondContact OG-OD2 3.26Å; S140-D142 PolarHBondContact OG-N 2.63Å; S140-D142 PolarHBondContact OG-OD1 3.47Å; D142-R179 VanDerWaalsContact C-CZ 3.49Å; D142-R179 VanDerWaalsContact C-NH2 3.3Å; D142-R179 VanDerWaalsContact N-NH1 3.16Å; D142-R179 PolarHBondContact O-NH1 2.86Å; D142-R179 PolarHBondContact O-NH2 3.37Å
143	I	89.2	Confident	88.4	Confident	49 Å²	49	68.8 Å²	68.8	25%	0.251	35%	0.345	S	S	.	.	S	Bend	trans	-120.3	154.9	-175	63.7	171.5	0	0	0	111.4	F112 S140 E147 R179	F112-I143 HydrophobicContact CB-CG1 3.98Å; F112-I143 WeakPolarHBondContact CB-O 3.26Å; S140-I143 VanDerWaalsContact CB-O 3.25Å; S140-I143 WeakPolarHBondContact CB-O 3.46Å; S140-I143 PolarHBondContact OG-O 3.01Å; I143-E147 WeakPolarHBondContact CA-OE2 3.43Å; I143-E147 HydrophobicContact CB-CB 4.28Å; I143-E147 WeakPolarHBondContact CB-OE2 3.42Å; I143-R179 VanDerWaalsContact CA-NH2 3.35Å; I143-R179 PolarHBondContact O-NH2 2.66Å
144	A	88.5	Confident	88.1	Confident	18 Å²	18	68.2 Å²	68.2	15%	0.149	34%	0.337	C	S	.	.			trans	-71.2	164.3	176.6	0	0	0	0	0	111.6	H146 E147 Y150	A144-H146 PolarHBondContact O-N 2.92Å; A144-H146 VanDerWaalsContact O-N 3.16Å; A144-E147 HydrophobicContact CB-CB 4.26Å; A144-E147 PolarHBondContact N-OE2 2.95Å; A144-E147 PolarHBondContact O-N 3.31Å; A144-E147 VanDerWaalsContact O-N 3.15Å; A144-Y150 HydrophobicContact CB-CE2 4.2Å; A144-Y150 WeakPolarHBondContact CB-OH 3.34Å
145	F	90.5	Very high	87.8	Confident	63 Å²	63	71.3 Å²	71.3	28%	0.276	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	119.3	-178.3	-176.6	-113.7	0	0	0	110.1	F112 R118 Y121 E122 E147	F112-F145 HydrophobicContact CD1-CD2 4.48Å; F112-F145 HydrophobicContact CD2-CB 3.87Å; F112-F145 HydrophobicContact CD2-CD2 4.42Å; F112-F145 HydrophobicContact CE1-CD2 4.29Å; F112-F145 HydrophobicContact CE2-CB 3.67Å; F112-F145 HydrophobicContact CE2-CD2 4.25Å; F112-F145 HydrophobicContact CE2-CG 4.41Å; F112-F145 HydrophobicContact CZ-CB 4.33Å; F112-F145 HydrophobicContact CZ-CD2 4.17Å; R118-F145 HydrophobicContact CB-CE2 4.17Å; R118-F145 HydrophobicContact CG-CD2 4.26Å; R118-F145 HydrophobicContact CG-CE2 4.17Å; Y121-F145 HydrophobicContact CD1-CD1 4.37Å; Y121-F145 AromaticContact CD1-CD2 3.53Å; Y121-F145 HydrophobicContact CD1-CD2 3.53Å; Y121-F145 HydrophobicContact CD1-CE1 4.24Å; Y121-F145 AromaticContact CD1-CE2 3.43Å; Y121-F145 HydrophobicContact CD1-CE2 3.43Å; Y121-F145 VanDerWaalsContact CD1-CE2 3.43Å; Y121-F145 HydrophobicContact CD1-CG 4.03Å; Y121-F145 AromaticContact CD1-CZ 3.79Å; Y121-F145 HydrophobicContact CD1-CZ 3.79Å; Y121-F145 HydrophobicContact CE1-CB 4.48Å; Y121-F145 AromaticContact CE1-CD1 3.89Å; Y121-F145 HydrophobicContact CE1-CD1 3.89Å; Y121-F145 AromaticContact CE1-CD2 3.8Å; Y121-F145 HydrophobicContact CE1-CD2 3.8Å; Y121-F145 AromaticContact CE1-CE1 3.97Å; Y121-F145 HydrophobicContact CE1-CE1 3.97Å; Y121-F145 AromaticContact CE1-CE2 3.95Å; Y121-F145 HydrophobicContact CE1-CE2 3.95Å; Y121-F145 AromaticContact CE1-CG 3.79Å; Y121-F145 HydrophobicContact CE1-CG 3.79Å; Y121-F145 HydrophobicContact CE1-CZ 4.01Å; E122-F145 HydrophobicContact CG-CE2 4.16Å; E122-F145 HydrophobicContact CG-CZ 3.71Å; F145-E147 VanDerWaalsContact C-N 3.26Å; F145-E147 PolarHBondContact O-N 3.49Å
146	H	85.4	Confident	87.6	Confident	50 Å²	50	73 Å²	73	23%	0.231	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	41.8	-173.3	-66.3	-56.8	0	0	0	113.6	E122 A144 E148 D149 Y150	E122-H146 IonicContact OE1-CE1 3.82Å; E122-H146 IonicContact OE1-NE2 3.45Å; E122-H146 PolarHBondContact OE1-NE2 2.74Å; A144-H146 PolarHBondContact O-N 2.92Å; A144-H146 VanDerWaalsContact O-N 3.16Å; H146-E148 WeakPolarHBondContact CA-OE2 3.28Å; H146-E148 PolarHBondContact O-N 3.32Å; H146-D149 HydrophobicContact CB-CB 4.34Å; H146-D149 WeakPolarHBondContact O-CB 3.34Å; H146-D149 PolarHBondContact O-N 2.88Å; H146-Y150 VanDerWaalsContact O-CD1 3.3Å; H146-Y150 WeakPolarHBondContact O-CD1 3.15Å
147	E	82.7	Confident	87.5	Confident	48 Å²	48	66.2 Å²	66.2	22%	0.224	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-54.7	-32.4	174.2	-172.9	170.1	159.5	0	0	112.3	I143 A144 F145 D149 Y150	I143-E147 WeakPolarHBondContact CA-OE2 3.43Å; I143-E147 HydrophobicContact CB-CB 4.28Å; I143-E147 WeakPolarHBondContact CB-OE2 3.42Å; A144-E147 HydrophobicContact CB-CB 4.26Å; A144-E147 PolarHBondContact N-OE2 2.95Å; A144-E147 PolarHBondContact O-N 3.31Å; A144-E147 VanDerWaalsContact O-N 3.15Å; F145-E147 VanDerWaalsContact C-N 3.26Å; F145-E147 PolarHBondContact O-N 3.49Å; E147-D149 PolarHBondContact O-N 3.21Å; E147-D149 VanDerWaalsContact O-N 3.16Å; E147-Y150 HydrophobicContact CB-CD2 4.37Å; E147-Y150 HydrophobicContact CB-CE1 4.46Å; E147-Y150 HydrophobicContact CB-CE2 4.25Å; E147-Y150 HydrophobicContact CG-CD2 3.77Å; E147-Y150 HydrophobicContact CG-CE2 3.87Å; E147-Y150 HydrophobicContact CG-CG 4.29Å; E147-Y150 VanDerWaalsContact O-CB 3.25Å; E147-Y150 WeakPolarHBondContact O-CB 3.43Å; E147-Y150 PolarHBondContact O-N 3.39Å
148	E	81.3	Confident	87.3	Confident	96 Å²	96	66 Å²	66	45%	0.449	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-56.8	-26.4	173.1	57.2	-96.8	-123.1	0	0	114	R118 H146	R118-E148 IonicContact CZ-OE1 3.16Å; R118-E148 IonicContact NH1-OE1 3.31Å; R118-E148 PolarHBondContact NH1-OE1 2.74Å; R118-E148 IonicContact NH1-OE2 2.74Å; R118-E148 IonicContact NH2-OE1 2.84Å; R118-E148 PolarHBondContact NH2-OE1 2.85Å; H146-E148 WeakPolarHBondContact CA-OE2 3.28Å; H146-E148 PolarHBondContact O-N 3.32Å
149	D	83.2	Confident	87.1	Confident	55 Å²	55	69.6 Å²	69.6	29%	0.294	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-93.6	0.3	179.4	-78.7	-48.2	0	0	0	113.3	H146 E147 S151 R152	H146-D149 HydrophobicContact CB-CB 4.34Å; H146-D149 WeakPolarHBondContact O-CB 3.34Å; H146-D149 PolarHBondContact O-N 2.88Å; E147-D149 PolarHBondContact O-N 3.21Å; E147-D149 VanDerWaalsContact O-N 3.16Å; D149-S151 PolarHBondContact O-N 3.44Å; D149-R152 VanDerWaalsContact O-CB 3.3Å; D149-R152 WeakPolarHBondContact O-CB 3.26Å; D149-R152 PolarHBondContact O-N 3.25Å; D149-R152 IonicContact OD1-CZ 3.21Å; D149-R152 IonicContact OD1-NE 3.34Å; D149-R152 IonicContact OD1-NH1 3.77Å; D149-R152 PolarHBondContact OD1-NH1 2.72Å
150	Y	78.7	Confident	86.9	Confident	36 Å²	36	67.2 Å²	67.2	14%	0.141	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-60.5	-23.9	-174.2	-78.9	10.3	0	0	0	114	A144 H146 E147 R152 L153 F175	A144-Y150 HydrophobicContact CB-CE2 4.2Å; A144-Y150 WeakPolarHBondContact CB-OH 3.34Å; H146-Y150 VanDerWaalsContact O-CD1 3.3Å; H146-Y150 WeakPolarHBondContact O-CD1 3.15Å; E147-Y150 HydrophobicContact CB-CD2 4.37Å; E147-Y150 HydrophobicContact CB-CE1 4.46Å; E147-Y150 HydrophobicContact CB-CE2 4.25Å; E147-Y150 HydrophobicContact CG-CD2 3.77Å; E147-Y150 HydrophobicContact CG-CE2 3.87Å; E147-Y150 HydrophobicContact CG-CG 4.29Å; E147-Y150 VanDerWaalsContact O-CB 3.25Å; E147-Y150 WeakPolarHBondContact O-CB 3.43Å; E147-Y150 PolarHBondContact O-N 3.39Å; Y150-R152 PolarHBondContact O-N 3.2Å; Y150-R152 VanDerWaalsContact O-N 3.12Å; Y150-L153 HydrophobicContact CD1-CD1 3.54Å; Y150-L153 HydrophobicContact CD1-CG 4.48Å; Y150-L153 HydrophobicContact CE1-CD1 3.83Å; Y150-L153 HydrophobicContact CG-CD1 4.35Å; Y150-L153 PolarHBondContact O-N 2.96Å; Y150-F175 WeakPolarHBondContact CD2-O 3.49Å
151	S	75	Confident	86.7	Confident	83 Å²	83	70.2 Å²	70.2	58%	0.58	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-58.4	-21.9	171.8	63.5	0	0	0	0	113.9	D149	D149-S151 PolarHBondContact O-N 3.44Å
152	R	80.5	Confident	86.4	Confident	190 Å²	190	72.6 Å²	72.6	72%	0.717	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-91.9	-17.8	178.4	-58.6	172.9	172	166.8	-7.2	112.6	D149 Y150	D149-R152 VanDerWaalsContact O-CB 3.3Å; D149-R152 WeakPolarHBondContact O-CB 3.26Å; D149-R152 PolarHBondContact O-N 3.25Å; D149-R152 IonicContact OD1-CZ 3.21Å; D149-R152 IonicContact OD1-NE 3.34Å; D149-R152 IonicContact OD1-NH1 3.77Å; D149-R152 PolarHBondContact OD1-NH1 2.72Å; Y150-R152 PolarHBondContact O-N 3.2Å; Y150-R152 VanDerWaalsContact O-N 3.12Å
153	L	82.2	Confident	86.2	Confident	77 Å²	77	78.3 Å²	78.3	40%	0.403	38%	0.383	S	S	.	.			trans	-83.8	145.4	179.7	-59	-178.9	0	0	0	110.3	Y150 F155	Y150-L153 HydrophobicContact CD1-CD1 3.54Å; Y150-L153 HydrophobicContact CD1-CG 4.48Å; Y150-L153 HydrophobicContact CE1-CD1 3.83Å; Y150-L153 HydrophobicContact CG-CD1 4.35Å; Y150-L153 PolarHBondContact O-N 2.96Å; L153-F155 HydrophobicContact CB-CD2 4.43Å; L153-F155 HydrophobicContact CB-CE2 3.65Å; L153-F155 HydrophobicContact CB-CZ 4.02Å; L153-F155 HydrophobicContact CD1-CE2 4.3Å; L153-F155 HydrophobicContact CD1-CZ 3.93Å
154	K	85.4	Confident	86.1	Confident	108 Å²	108	81.3 Å²	81.3	47%	0.47	40%	0.396	S	S	.	.			trans	-121.2	131.5	171.4	-59.7	-61	171.8	-159.8	0	108.2	V171 D173	K154-V171 HydrophobicContact CB-CG1 3.9Å; K154-V171 HydrophobicContact CD-CG1 4.23Å; K154-V171 HydrophobicContact CG-CG1 4.38Å; K154-D173 IonicContact NZ-OD1 2.74Å; K154-D173 PolarHBondContact NZ-OD1 3.02Å
155	F	87	Confident	86.1	Confident	66 Å²	66	88.4 Å²	88.4	29%	0.289	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.7	179.7	-62.1	-91.8	0	0	0	109.7	L153 V171 L172 F175	L153-F155 HydrophobicContact CB-CD2 4.43Å; L153-F155 HydrophobicContact CB-CE2 3.65Å; L153-F155 HydrophobicContact CB-CZ 4.02Å; L153-F155 HydrophobicContact CD1-CE2 4.3Å; L153-F155 HydrophobicContact CD1-CZ 3.93Å; F155-V171 CarbonylContact O-C 3.6Å; F155-L172 HydrophobicContact CB-CB 4.26Å; F155-L172 HydrophobicContact CB-CD1 4.36Å; F155-L172 PolarHBondContact N-O 3.26Å; F155-L172 PolarHBondContact O-N 3.02Å; F155-F175 HydrophobicContact CD2-CB 3.44Å; F155-F175 VanDerWaalsContact CD2-CB 3.44Å; F155-F175 HydrophobicContact CD2-CG 4.09Å; F155-F175 HydrophobicContact CE1-CD1 4.46Å; F155-F175 HydrophobicContact CE2-CB 3.58Å; F155-F175 HydrophobicContact CE2-CD1 4.22Å; F155-F175 HydrophobicContact CE2-CG 4.16Å; F155-F175 HydrophobicContact CG-CB 4.13Å; F155-F175 HydrophobicContact CG-CG 4.37Å; F155-F175 HydrophobicContact CZ-CB 4.35Å; F155-F175 HydrophobicContact CZ-CD1 4.16Å; F155-F175 HydrophobicContact CZ-CG 4.5Å
156	D	90.2	Very high	86.1	Confident	95 Å²	95	86.3 Å²	86.3	51%	0.508	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	135.1	175.9	-65.1	-29	0	0	0	110.5	I158 V171	D156-I158 PolarHBondContact O-N 3.33Å; D156-V171 WeakPolarHBondContact OD1-CG2 3.28Å
157	V	91	Very high	86.4	Confident	13 Å²	13	91 Å²	91	8%	0.079	44%	0.437	C	S	.	.			trans	-71.9	111.4	171.3	176.2	0	0	0	0	109.1	I159 L166 K167 Y168 G169 D170 L172	V157-I159 WeakPolarHBondContact CG1-O 3.21Å; V157-L166 HydrophobicContact CG1-CB 4.19Å; V157-L166 HydrophobicContact CG2-CB 4.34Å; V157-K167 VanDerWaalsContact CB-O 3.29Å; V157-K167 WeakPolarHBondContact CB-O 3.33Å; V157-K167 VanDerWaalsContact CG1-O 3.23Å; V157-K167 WeakPolarHBondContact CG1-O 3.33Å; V157-Y168 WeakPolarHBondContact O-CA 3.47Å; V157-G169 PolarHBondContact O-N 2.87Å; V157-D170 HydrophobicContact CB-CB 4.14Å; V157-D170 HydrophobicContact CG2-CB 3.88Å; V157-D170 WeakPolarHBondContact CG2-O 3.32Å; V157-D170 PolarHBondContact N-O 2.84Å; V157-L172 HydrophobicContact CG2-CD1 4.44Å; V157-L172 HydrophobicContact CG2-CD2 4.19Å; V157-L172 HydrophobicContact CG2-CG 4.25Å
158	I	91.3	Very high	86.8	Confident	39 Å²	39	95 Å²	95	20%	0.2	45%	0.451	C	S	.	.	S	Bend	trans	-98.5	-17.2	178.7	58.8	162.4	0	0	0	113.7	F7 D156 Y168	F7-I158 HydrophobicContact CD1-CD1 4.18Å; F7-I158 HydrophobicContact CD1-CG2 3.97Å; F7-I158 HydrophobicContact CD2-CB 4.45Å; F7-I158 HydrophobicContact CD2-CG2 3.52Å; F7-I158 HydrophobicContact CE1-CD1 4.44Å; F7-I158 HydrophobicContact CE1-CG2 3.94Å; F7-I158 HydrophobicContact CE2-CG2 3.47Å; F7-I158 VanDerWaalsContact CE2-CG2 3.47Å; F7-I158 HydrophobicContact CG-CB 4.35Å; F7-I158 HydrophobicContact CG-CG2 3.77Å; F7-I158 HydrophobicContact CZ-CG2 3.69Å; D156-I158 PolarHBondContact O-N 3.33Å; I158-Y168 VanDerWaalsContact O-CD2 3.32Å; I158-Y168 WeakPolarHBondContact O-CD2 3.23Å
159	I	90.6	Very high	87.2	Confident	102 Å²	102	92.4 Å²	92.4	52%	0.523	45%	0.45	S	S	.	.	S	Bend	trans	-128	120.5	174.4	-59.9	171.5	0	0	0	106.5	V4 V157	V4-I159 HydrophobicContact CG2-CD1 3.46Å; V4-I159 VanDerWaalsContact CG2-CD1 3.46Å; V4-I159 HydrophobicContact CG2-CG1 3.52Å; V157-I159 WeakPolarHBondContact CG1-O 3.21Å
160	P	91.1	Very high	87.6	Confident	52 Å²	52	91.3 Å²	91.3	34%	0.338	45%	0.445	S	S	.	.			trans	-67.4	141.6	179.2	28.4	-34	0	0	0	111	L166	P160-L166 CarbonylContact C-O 3.58Å; P160-L166 VanDerWaalsContact CA-O 3.26Å; P160-L166 WeakPolarHBondContact CA-O 3.45Å; P160-L166 WeakPolarHBondContact CB-O 3.4Å
161	D	90.2	Very high	88.1	Confident	68 Å²	68	90.7 Å²	90.7	36%	0.364	44%	0.444	S	S	.	.	B	Isolated β-bridge	trans	-114.8	103.8	169.9	-171.4	-23.4	0	0	0	108.7	K163 E164 Q165 L166	D161-K163 VanDerWaalsContact C-N 3.25Å; D161-K163 PolarHBondContact O-N 2.66Å; D161-K163 WeakPolarHBondContact OD1-CB 3.23Å; D161-K163 PolarHBondContact OD1-N 3.19Å; D161-E164 HydrophobicContact CB-CB 4.41Å; D161-E164 PolarHBondContact O-N 3.05Å; D161-E164 PolarHBondContact OD1-N 3.2Å; D161-Q165 CarbonylContact O-C 3.56Å; D161-Q165 PolarHBondContact O-N 3.27Å; D161-L166 HydrophobicContact CB-CB 4.16Å; D161-L166 HydrophobicContact CB-CD1 4.26Å; D161-L166 PolarHBondContact N-O 3.01Å; D161-L166 PolarHBondContact O-N 3.3Å
162	M	87.7	Confident	88.7	Confident	163 Å²	163	87.2 Å²	87.2	80%	0.803	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-25.8	-177.8	-63	-58.2	-63.3	0	0	112.7
163	K	89.1	Confident	88.9	Confident	174 Å²	174	79.7 Å²	79.7	76%	0.757	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-43.1	-179.7	-176.4	-176.1	171.2	-168.9	0	110.4	D161 Q165	D161-K163 VanDerWaalsContact C-N 3.25Å; D161-K163 PolarHBondContact O-N 2.66Å; D161-K163 WeakPolarHBondContact OD1-CB 3.23Å; D161-K163 PolarHBondContact OD1-N 3.19Å; K163-Q165 VanDerWaalsContact C-N 3.32Å
164	E	86.1	Confident	88.9	Confident	111 Å²	111	79 Å²	79	52%	0.519	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	6.9	178.1	-57.2	-55.7	142.5	0	0	113.2	D161 L166	D161-E164 HydrophobicContact CB-CB 4.41Å; D161-E164 PolarHBondContact O-N 3.05Å; D161-E164 PolarHBondContact OD1-N 3.2Å; E164-L166 HydrophobicContact CB-CD1 4.31Å; E164-L166 HydrophobicContact CB-CG 4.17Å; E164-L166 PolarHBondContact O-N 3.29Å
165	Q	89	Confident	88.7	Confident	167 Å²	167	76.3 Å²	76.3	78%	0.78	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	30.2	-179.5	-53.7	179.3	17.1	0	0	114.5	D161 K163	D161-Q165 CarbonylContact O-C 3.56Å; D161-Q165 PolarHBondContact O-N 3.27Å; K163-Q165 VanDerWaalsContact C-N 3.32Å
166	L	90.9	Very high	88.6	Confident	19 Å²	19	76.2 Å²	76.2	10%	0.099	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-87	125	176.2	-61.3	175.9	0	0	0	110.7	V157 P160 D161 E164 L172 L185 L187	V157-L166 HydrophobicContact CG1-CB 4.19Å; V157-L166 HydrophobicContact CG2-CB 4.34Å; P160-L166 CarbonylContact C-O 3.58Å; P160-L166 VanDerWaalsContact CA-O 3.26Å; P160-L166 WeakPolarHBondContact CA-O 3.45Å; P160-L166 WeakPolarHBondContact CB-O 3.4Å; D161-L166 HydrophobicContact CB-CB 4.16Å; D161-L166 HydrophobicContact CB-CD1 4.26Å; D161-L166 PolarHBondContact N-O 3.01Å; D161-L166 PolarHBondContact O-N 3.3Å; E164-L166 HydrophobicContact CB-CD1 4.31Å; E164-L166 HydrophobicContact CB-CG 4.17Å; E164-L166 PolarHBondContact O-N 3.29Å; L166-L172 HydrophobicContact CD2-CD2 4.35Å; L166-L185 HydrophobicContact CD1-CD1 4.42Å; L166-L185 HydrophobicContact CD1-CD2 3.66Å; L166-L185 HydrophobicContact CD2-CD1 4.05Å; L166-L187 HydrophobicContact CD2-CD1 4.43Å
167	K	91.4	Very high	88.2	Confident	149 Å²	149	75.1 Å²	75.1	65%	0.648	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-101.4	153.6	178.7	-61.2	-179.2	-176.7	-179.1	0	110.9	V157 G169 D170	V157-K167 VanDerWaalsContact CB-O 3.29Å; V157-K167 WeakPolarHBondContact CB-O 3.33Å; V157-K167 VanDerWaalsContact CG1-O 3.23Å; V157-K167 WeakPolarHBondContact CG1-O 3.33Å; K167-G169 PolarHBondContact O-N 2.97Å; K167-D170 PolarHBondContact N-OD2 3.35Å; K167-D170 VanDerWaalsContact O-CB 3.29Å; K167-D170 WeakPolarHBondContact O-CB 3.39Å; K167-D170 PolarHBondContact O-N 3.41Å; K167-D170 VanDerWaalsContact O-N 3.08Å
168	Y	90.4	Very high	88	Confident	131 Å²	131	78.6 Å²	78.6	51%	0.514	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	127.2	170	-179.6	-85.9	0	0	0	110.6	V157 I158	V157-Y168 WeakPolarHBondContact O-CA 3.47Å; I158-Y168 VanDerWaalsContact O-CD2 3.32Å; I158-Y168 WeakPolarHBondContact O-CD2 3.23Å
169	G	89.7	Confident	87.4	Confident	42 Å²	42	81.5 Å²	81.5	43%	0.433	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	0.1	-178.7	0	0	0	0	0	115.3	V157 K167	V157-G169 PolarHBondContact O-N 2.87Å; K167-G169 PolarHBondContact O-N 2.97Å
170	D	91.2	Very high	87.3	Confident	33 Å²	33	82.1 Å²	82.1	18%	0.176	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-61.7	137.7	167.4	-81.6	-11.3	0	0	0	110.1	V157 K167 L187	V157-D170 HydrophobicContact CB-CB 4.14Å; V157-D170 HydrophobicContact CG2-CB 3.88Å; V157-D170 WeakPolarHBondContact CG2-O 3.32Å; V157-D170 PolarHBondContact N-O 2.84Å; K167-D170 PolarHBondContact N-OD2 3.35Å; K167-D170 VanDerWaalsContact O-CB 3.29Å; K167-D170 WeakPolarHBondContact O-CB 3.39Å; K167-D170 PolarHBondContact O-N 3.41Å; K167-D170 VanDerWaalsContact O-N 3.08Å; D170-L187 HydrophobicContact CB-CD1 3.66Å
171	V	90.2	Very high	87.1	Confident	22 Å²	22	83.7 Å²	83.7	13%	0.133	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.7	179.4	-175.8	0	0	0	0	109.9	K154 F155 D156 N188 I191	K154-V171 HydrophobicContact CB-CG1 3.9Å; K154-V171 HydrophobicContact CD-CG1 4.23Å; K154-V171 HydrophobicContact CG-CG1 4.38Å; F155-V171 CarbonylContact O-C 3.6Å; D156-V171 WeakPolarHBondContact OD1-CG2 3.28Å; V171-N188 HydrophobicContact CB-CB 4.25Å; V171-N188 HydrophobicContact CG1-CB 4.42Å; V171-N188 WeakPolarHBondContact O-CB 3.43Å; V171-N188 PolarHBondContact O-N 2.9Å; V171-I191 HydrophobicContact CB-CD1 3.71Å; V171-I191 HydrophobicContact CG1-CD1 4.45Å; V171-I191 HydrophobicContact CG2-CD1 3.34Å
172	L	88.4	Confident	87.1	Confident	10 Å²	10	83.1 Å²	83.1	5%	0.052	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.6	176.9	-52.3	179.5	0	0	0	110.3	F155 V157 L166 F175 L185 K186 L187	F155-L172 HydrophobicContact CB-CB 4.26Å; F155-L172 HydrophobicContact CB-CD1 4.36Å; F155-L172 PolarHBondContact N-O 3.26Å; F155-L172 PolarHBondContact O-N 3.02Å; V157-L172 HydrophobicContact CG2-CD1 4.44Å; V157-L172 HydrophobicContact CG2-CD2 4.19Å; V157-L172 HydrophobicContact CG2-CG 4.25Å; L166-L172 HydrophobicContact CD2-CD2 4.35Å; L172-F175 HydrophobicContact CD1-CD2 4.28Å; L172-L185 HydrophobicContact CD1-CB 4.16Å; L172-L185 HydrophobicContact CD2-CB 4.29Å; L172-L185 HydrophobicContact CD2-CD1 4.38Å; L172-K186 CarbonylContact C-O 3.43Å; L172-K186 WeakPolarHBondContact CA-O 3.39Å; L172-L187 HydrophobicContact CD2-CD1 4.14Å
173	D	84.4	Confident	87.1	Confident	32 Å²	32	77 Å²	77	17%	0.171	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-31.3	174.6	-83.4	-23.3	0	0	0	113.3	K154 K186 N188	K154-D173 IonicContact NZ-OD1 2.74Å; K154-D173 PolarHBondContact NZ-OD1 3.02Å; D173-K186 PolarHBondContact N-O 3.06Å; D173-N188 VanDerWaalsContact OD1-CB 3.32Å; D173-N188 WeakPolarHBondContact OD1-CB 3.04Å; D173-N188 VanDerWaalsContact OD1-CG 3.23Å; D173-N188 PolarHBondContact OD1-ND2 3.32Å; D173-N188 WeakPolarHBondContact OD2-CA 3.37Å
174	I	80.9	Confident	87	Confident	64 Å²	64	71.4 Å²	71.4	33%	0.328	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	136	177.8	-57.5	177.2	0	0	0	106.8	I176 L185 K186	I174-I176 HydrophobicContact CG2-CD1 4.13Å; I174-I176 HydrophobicContact CG2-CG1 3.99Å; I174-L185 VanDerWaalsContact O-CA 3.3Å; I174-L185 WeakPolarHBondContact O-CA 3.36Å; I174-K186 HydrophobicContact CB-CB 3.81Å; I174-K186 HydrophobicContact CD1-CB 4.21Å; I174-K186 HydrophobicContact CD1-CD 3.77Å; I174-K186 HydrophobicContact CG1-CB 4.07Å; I174-K186 HydrophobicContact CG1-CD 4.21Å; I174-K186 PolarHBondContact O-N 3.31Å
175	F	82.6	Confident	87.2	Confident	51 Å²	51	69.8 Å²	69.8	22%	0.224	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	121	172.7	175	-91.1	0	0	0	107.9	Y150 F155 L172 N177 A183 S184	Y150-F175 WeakPolarHBondContact CD2-O 3.49Å; F155-F175 HydrophobicContact CD2-CB 3.44Å; F155-F175 VanDerWaalsContact CD2-CB 3.44Å; F155-F175 HydrophobicContact CD2-CG 4.09Å; F155-F175 HydrophobicContact CE1-CD1 4.46Å; F155-F175 HydrophobicContact CE2-CB 3.58Å; F155-F175 HydrophobicContact CE2-CD1 4.22Å; F155-F175 HydrophobicContact CE2-CG 4.16Å; F155-F175 HydrophobicContact CG-CB 4.13Å; F155-F175 HydrophobicContact CG-CG 4.37Å; F155-F175 HydrophobicContact CZ-CB 4.35Å; F155-F175 HydrophobicContact CZ-CD1 4.16Å; F155-F175 HydrophobicContact CZ-CG 4.5Å; L172-F175 HydrophobicContact CD1-CD2 4.28Å; F175-N177 HydrophobicContact CE1-CB 3.92Å; F175-N177 HydrophobicContact CZ-CB 4.39Å; F175-A183 HydrophobicContact CD2-CB 4.03Å; F175-A183 HydrophobicContact CE2-CB 3.44Å; F175-A183 VanDerWaalsContact CE2-CB 3.44Å; F175-A183 HydrophobicContact CZ-CB 3.77Å; F175-S184 CarbonylContact C-O 3.6Å; F175-S184 WeakPolarHBondContact CA-O 3.26Å
176	I	83.9	Confident	87.1	Confident	64 Å²	64	67.5 Å²	67.5	33%	0.328	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.4	177.6	-60.5	171.4	0	0	0	107.5	I174 A183 S184	I174-I176 HydrophobicContact CG2-CD1 4.13Å; I174-I176 HydrophobicContact CG2-CG1 3.99Å; I176-A183 CarbonylContact O-C 3.46Å; I176-A183 WeakPolarHBondContact O-CA 3.28Å; I176-A183 VanDerWaalsContact O-CB 3.23Å; I176-A183 WeakPolarHBondContact O-CB 3.38Å; I176-S184 PolarHBondContact N-O 3.4Å; I176-S184 PolarHBondContact O-N 3.1Å
177	N	82.8	Confident	86.8	Confident	72 Å²	72	68.7 Å²	68.7	39%	0.385	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	121.8	-177.4	-171.5	-21.1	0	0	0	110.8	F175 R179	F175-N177 HydrophobicContact CE1-CB 3.92Å; F175-N177 HydrophobicContact CZ-CB 4.39Å; N177-R179 VanDerWaalsContact C-N 3.29Å; N177-R179 PolarHBondContact O-N 2.85Å; N177-R179 WeakPolarHBondContact OD1-CA 3.48Å; N177-R179 PolarHBondContact OD1-N 2.73Å
178	H	85.3	Confident	86.4	Confident	85 Å²	85	62.8 Å²	62.8	39%	0.394	35%	0.351	S	S	.	.			trans	-85.3	0.5	178.8	-63.4	-57.2	0	0	0	113.9	N180 S182 S184	H178-N180 WeakPolarHBondContact CB-OD1 3.33Å; H178-N180 PolarHBondContact O-N 3.41Å; H178-S182 WeakPolarHBondContact CB-O 3.34Å; H178-S182 PolarHBondContact N-O 3.5Å; H178-S184 PolarHBondContact CE1-OG 2.93Å; H178-S184 PolarHBondContact NE2-N 3.29Å; H178-S184 PolarHBondContact NE2-OG 3.24Å
179	R	80.2	Confident	85.6	Confident	101 Å²	101	64.4 Å²	64.4	38%	0.381	36%	0.363	S	S	.	.	S	Bend	trans	60.4	15.4	176.5	-53.6	164.9	177.2	-150.4	-15.4	114.9	S140 I141 D142 I143 N177	S140-R179 VanDerWaalsContact O-CZ 3.3Å; S140-R179 PolarHBondContact O-NH1 2.93Å; S140-R179 PolarHBondContact O-NH2 2.82Å; I141-R179 PolarHBondContact O-NH1 2.99Å; D142-R179 VanDerWaalsContact C-CZ 3.49Å; D142-R179 VanDerWaalsContact C-NH2 3.3Å; D142-R179 VanDerWaalsContact N-NH1 3.16Å; D142-R179 PolarHBondContact O-NH1 2.86Å; D142-R179 PolarHBondContact O-NH2 3.37Å; I143-R179 VanDerWaalsContact CA-NH2 3.35Å; I143-R179 PolarHBondContact O-NH2 2.66Å; N177-R179 VanDerWaalsContact C-N 3.29Å; N177-R179 PolarHBondContact O-N 2.85Å; N177-R179 WeakPolarHBondContact OD1-CA 3.48Å; N177-R179 PolarHBondContact OD1-N 2.73Å
180	N	87.8	Confident	84.3	Confident	115 Å²	115	67 Å²	67	62%	0.615	37%	0.374	S	S	*	.	S	Bend	trans	-117.3	14.8	177.1	65	3.1	0	0	0	112.2	H178 S182	H178-N180 WeakPolarHBondContact CB-OD1 3.33Å; H178-N180 PolarHBondContact O-N 3.41Å; N180-S182 WeakPolarHBondContact OD1-CB 3.29Å; N180-S182 PolarHBondContact OD1-N 3.48Å; N180-S182 PolarHBondContact OD1-OG 3.26Å
181	G	87.1	Confident	82.6	Confident	84 Å²	84	69.5 Å²	69.5	87%	0.866	39%	0.386	S	S	*	.	S	Bend	trans	89	-1	-174.1	0	0	0	0	0	114.7
182	S	89.7	Confident	80.5	Confident	57 Å²	57	76.5 Å²	76.5	40%	0.399	42%	0.415	S	S	.	.			trans	-116.1	162.3	174.3	73.9	0	0	0	0	112.5	H178 N180	H178-S182 WeakPolarHBondContact CB-O 3.34Å; H178-S182 PolarHBondContact N-O 3.5Å; N180-S182 WeakPolarHBondContact OD1-CB 3.29Å; N180-S182 PolarHBondContact OD1-N 3.48Å; N180-S182 PolarHBondContact OD1-OG 3.26Å
183	A	87.5	Confident	78.1	Confident	33 Å²	33	84.5 Å²	84.5	27%	0.273	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	148.5	177.6	0	0	0	0	0	111.5	F175 I176	F175-A183 HydrophobicContact CD2-CB 4.03Å; F175-A183 HydrophobicContact CE2-CB 3.44Å; F175-A183 VanDerWaalsContact CE2-CB 3.44Å; F175-A183 HydrophobicContact CZ-CB 3.77Å; I176-A183 CarbonylContact O-C 3.46Å; I176-A183 WeakPolarHBondContact O-CA 3.28Å; I176-A183 VanDerWaalsContact O-CB 3.23Å; I176-A183 WeakPolarHBondContact O-CB 3.38Å
184	S	88.3	Confident	76	Confident	57 Å²	57	91.6 Å²	91.6	40%	0.399	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	135.3	166.5	-71.7	0	0	0	0	109.9	F175 I176 H178	F175-S184 CarbonylContact C-O 3.6Å; F175-S184 WeakPolarHBondContact CA-O 3.26Å; I176-S184 PolarHBondContact N-O 3.4Å; I176-S184 PolarHBondContact O-N 3.1Å; H178-S184 PolarHBondContact CE1-OG 2.93Å; H178-S184 PolarHBondContact NE2-N 3.29Å; H178-S184 PolarHBondContact NE2-OG 3.24Å
185	L	88.5	Confident	73.8	Confident	77 Å²	77	99 Å²	99	40%	0.403	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	149.9	-171.8	56.2	91	0	0	0	112.6	L166 L172 I174	L166-L185 HydrophobicContact CD1-CD1 4.42Å; L166-L185 HydrophobicContact CD1-CD2 3.66Å; L166-L185 HydrophobicContact CD2-CD1 4.05Å; L172-L185 HydrophobicContact CD1-CB 4.16Å; L172-L185 HydrophobicContact CD2-CB 4.29Å; L172-L185 HydrophobicContact CD2-CD1 4.38Å; I174-L185 VanDerWaalsContact O-CA 3.3Å; I174-L185 WeakPolarHBondContact O-CA 3.36Å
186	K	87.5	Confident	71.7	Confident	119 Å²	119	106.8 Å²	106.8	52%	0.517	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.1	117.7	169.3	-174.1	179.6	178.2	-178.5	0	108.8	L172 D173 I174	L172-K186 CarbonylContact C-O 3.43Å; L172-K186 WeakPolarHBondContact CA-O 3.39Å; D173-K186 PolarHBondContact N-O 3.06Å; I174-K186 HydrophobicContact CB-CB 3.81Å; I174-K186 HydrophobicContact CD1-CB 4.21Å; I174-K186 HydrophobicContact CD1-CD 3.77Å; I174-K186 HydrophobicContact CG1-CB 4.07Å; I174-K186 HydrophobicContact CG1-CD 4.21Å; I174-K186 PolarHBondContact O-N 3.31Å
187	L	85.8	Confident	71.1	Confident	44 Å²	44	108.9 Å²	108.9	23%	0.23	57%	0.57	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-70.5	136.4	177.6	-169.8	72.9	0	0	0	110.9	L166 D170 L172 Q189	L166-L187 HydrophobicContact CD2-CD1 4.43Å; D170-L187 HydrophobicContact CB-CD1 3.66Å; L172-L187 HydrophobicContact CD2-CD1 4.14Å; L187-Q189 PolarHBondContact O-N 3.47Å
188	N	82.9	Confident	70.5	Confident	26 Å²	26	110.8 Å²	110.8	14%	0.139	58%	0.58	C	S	.	*			trans	-74	109	170	-170.5	-29.5	0	0	0	109.8	V171 D173 S190	V171-N188 HydrophobicContact CB-CB 4.25Å; V171-N188 HydrophobicContact CG1-CB 4.42Å; V171-N188 WeakPolarHBondContact O-CB 3.43Å; V171-N188 PolarHBondContact O-N 2.9Å; D173-N188 VanDerWaalsContact OD1-CB 3.32Å; D173-N188 WeakPolarHBondContact OD1-CB 3.04Å; D173-N188 VanDerWaalsContact OD1-CG 3.23Å; D173-N188 PolarHBondContact OD1-ND2 3.32Å; D173-N188 WeakPolarHBondContact OD2-CA 3.37Å; N188-S190 VanDerWaalsContact C-N 3.26Å; N188-S190 PolarHBondContact O-N 3.29Å; N188-S190 WeakPolarHBondContact OD1-CB 3.48Å; N188-S190 PolarHBondContact OD1-N 3.2Å; N188-S190 PolarHBondContact OD1-OG 2.87Å
189	Q	73.4	Confident	69.6	Low	165 Å²	165	112.3 Å²	112.3	77%	0.771	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-77.6	-11.3	-178	-65.3	-178.6	-10.7	0	0	113.3	L187 I191	L187-Q189 PolarHBondContact O-N 3.47Å; Q189-I191 VanDerWaalsContact C-N 3.29Å; Q189-I191 PolarHBondContact O-N 3.43Å
190	S	62.2	Low	69	Low	95 Å²	95	112.9 Å²	112.9	66%	0.664	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-71.7	-19.5	-171.6	-32	0	0	0	0	114	N188	N188-S190 VanDerWaalsContact C-N 3.26Å; N188-S190 PolarHBondContact O-N 3.29Å; N188-S190 WeakPolarHBondContact OD1-CB 3.48Å; N188-S190 PolarHBondContact OD1-N 3.2Å; N188-S190 PolarHBondContact OD1-OG 2.87Å
191	I	54.6	Low	67.9	Low	86 Å²	86	112.8 Å²	112.8	44%	0.441	60%	0.602	S	S	.	*	G	3₁₀ helix	trans	-88.3	-14.6	-171.2	-61.1	176	0	0	0	112.5	V171 Q189 Q193	V171-I191 HydrophobicContact CB-CD1 3.71Å; V171-I191 HydrophobicContact CG1-CD1 4.45Å; V171-I191 HydrophobicContact CG2-CD1 3.34Å; Q189-I191 VanDerWaalsContact C-N 3.29Å; Q189-I191 PolarHBondContact O-N 3.43Å; I191-Q193 PolarHBondContact O-N 2.96Å
192	K	46.5	Very low	66.6	Low	169 Å²	169	114.7 Å²	114.7	74%	0.735	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-67.8	-3.1	-176.8	-78.1	-173.9	177.6	177.2	0	115.6
193	Q	37.7	Very low	64.9	Low	179 Å²	179	118.9 Å²	118.9	84%	0.836	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-110	7	-175.1	-75.3	-176.4	-13	0	0	116.2	I191	I191-Q193 PolarHBondContact O-N 2.96Å
194	K	41.6	Very low	63.2	Low	181 Å²	181	125.5 Å²	125.5	79%	0.787	62%	0.623	S	S	*	*	S	Bend	trans	-103.7	8.9	-175.6	-91	-174.3	176.9	-179.5	0	117.2
195	Y	34.2	Very low	61.1	Low	218 Å²	218	131.2 Å²	131.2	86%	0.855	64%	0.642	S	S	*	*			trans	-137.3	88.8	174.5	-61.7	-78.9	0	0	0	111.2
196	T	38.4	Very low	58.6	Low	215 Å²	215	136.1 Å²	136.1	100%	1.319	66%	0.663	S	S	*	*			trans	-128.2	0	152.4	39	0	0	0	0	107.4

Retrieved 196 of 196 residues in 247.8 ms (Link to these results)

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